N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine

C16H30N4 — CID 103887700

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
SMILESCCN(CCNCc1cn(C)nc1C(C)(C)C)C1CC1
InChIInChI=1S/C16H30N4/c1-6-20(14-7-8-14)10-9-17-11-13-12-19(5)18-15(13)16(2,3)4/h12,14,17H,6-11H2,1-5H3
InChIKeyDUWYGRUXRURZFT-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.29
Rot. Bonds7

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine (PubChem CID 103887700) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
PubChem CID103887700
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
SMILESCCN(CCNCc1cn(C)nc1C(C)(C)C)C1CC1
InChIInChI=1S/C16H30N4/c1-6-20(14-7-8-14)10-9-17-11-13-12-19(5)18-15(13)16(2,3)4/h12,14,17H,6-11H2,1-5H3
InChIKeyDUWYGRUXRURZFT-UHFFFAOYSA-N
XLogP2.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 83074884
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 83083257
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103887705
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol
CID 83082881
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 83083255
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 114110449
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]prop-2-yn-1-amine
CID 83082202
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115883596
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 83075859
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103887742
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83089082
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 83082371

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine (CID 103887700) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine is CCN(CCNCc1cn(C)nc1C(C)(C)C)C1CC1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
The InChIKey is DUWYGRUXRURZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-20(14-7-8-14)10-9-17-11-13-12-19(5)18-15(13)16(2,3)4/h12,14,17H,6-11H2,1-5H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103887700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).