N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

C17H30N6 — CID 135087538

IUPACN'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1[nH]cnc1CN(CCN(C)C)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C17H30N6/c1-13-15(19-12-18-13)11-23(8-7-22(5)6)10-14-9-16(21-20-14)17(2,3)4/h9,12H,7-8,10-11H2,1-6H3,(H,18,19)(H,20,21)
InChIKeyWPGHTIJDGBLJTE-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.30
Rot. Bonds7

About N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 135087538) has the molecular formula C17H30N6 and a molecular weight of 318.47 g/mol. Its IUPAC name is N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID135087538
Molecular FormulaC17H30N6
Molecular Weight318.47 g/mol
Exact Mass318.25
IUPAC NameN'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1[nH]cnc1CN(CCN(C)C)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C17H30N6/c1-13-15(19-12-18-13)11-23(8-7-22(5)6)10-14-9-16(21-20-14)17(2,3)4/h9,12H,7-8,10-11H2,1-6H3,(H,18,19)(H,20,21)
InChIKeyWPGHTIJDGBLJTE-UHFFFAOYSA-N
XLogP2.30
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135102174
2-[4-chloro-2-[[2-(dimethylamino)ethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]methyl]phenoxy]acetic acid
CID 135087478
N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135118869
N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135088110
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine
CID 50975125
3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]propanoic acid
CID 120586281
N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
CID 135112310
(E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine
CID 50949002
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 135097741
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N',N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]ethane-1,2-diamine
CID 102599835
N-[2-(dimethylamino)ethyl]-4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
CID 135120852
2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 56714451

Frequently Asked Questions

What is the IUPAC name of N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (CID 135087538) is N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is Cc1[nH]cnc1CN(CCN(C)C)Cc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is WPGHTIJDGBLJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6/c1-13-15(19-12-18-13)11-23(8-7-22(5)6)10-14-9-16(21-20-14)17(2,3)4/h9,12H,7-8,10-11H2,1-6H3,(H,18,19)(H,20,21).
What are the key properties of N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 318.47 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 135087538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).