N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine

C17H34N4 — CID 63024969

IUPACN-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(C)Cc1nccn1C
InChIInChI=1S/C17H34N4/c1-8-9-17(5,13-19-16(2,3)4)14-20(6)12-15-18-10-11-21(15)7/h10-11,19H,8-9,12-14H2,1-7H3
InChIKeyIVQAAPAUBIRLJZ-UHFFFAOYSA-N
MW294.49 g/mol
LogP3.05
Rot. Bonds8

About N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine

N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine (PubChem CID 63024969) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine
PubChem CID63024969
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC NameN-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(C)Cc1nccn1C
InChIInChI=1S/C17H34N4/c1-8-9-17(5,13-19-16(2,3)4)14-20(6)12-15-18-10-11-21(15)7/h10-11,19H,8-9,12-14H2,1-7H3
InChIKeyIVQAAPAUBIRLJZ-UHFFFAOYSA-N
XLogP3.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal
CID 63024609
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62255946
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024794
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
CID 83054407
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 63026829
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
CID 63024945
ethyl 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63024944
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63025857
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 63024829
N-tert-butyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528242

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine (CID 63024969) is N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine is CCCC(C)(CNC(C)(C)C)CN(C)Cc1nccn1C.
What is the InChIKey of N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine?
The InChIKey is IVQAAPAUBIRLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-8-9-17(5,13-19-16(2,3)4)14-20(6)12-15-18-10-11-21(15)7/h10-11,19H,8-9,12-14H2,1-7H3.
What are the key properties of N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine?
N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine has a molecular weight of 294.49 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine is sourced from PubChem (CID 63024969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).