N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine

C14H26N4 — CID 102804462

IUPACN-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2cn(C)nc2C)CC1
InChIInChI=1S/C14H26N4/c1-4-8-18-9-5-6-13(7-10-18)15-14-11-17(3)16-12(14)2/h11,13,15H,4-10H2,1-3H3
InChIKeyYCTNMLKUKGVEPJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.40
Rot. Bonds4

About N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine

N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine (PubChem CID 102804462) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine
PubChem CID102804462
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2cn(C)nc2C)CC1
InChIInChI=1S/C14H26N4/c1-4-8-18-9-5-6-13(7-10-18)15-14-11-17(3)16-12(14)2/h11,13,15H,4-10H2,1-3H3
InChIKeyYCTNMLKUKGVEPJ-UHFFFAOYSA-N
XLogP2.40
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine
CID 79041986
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
N-(4-iodo-2-methylphenyl)-1-propylazepan-4-amine
CID 65074070
N-(5-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65072389
N-(2-bromo-5-methylphenyl)-1-propylazepan-4-amine
CID 82761578
N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65073245
N-(3-cyclopropylcyclohexyl)-1,3-dimethylpyrazol-4-amine
CID 104955790
N-(2-tert-butylphenyl)-1-propylazepan-4-amine
CID 65074700
N-(2,5-dichlorophenyl)-1-propylazepan-4-amine
CID 65072419
N-(2-methyl-3-nitrophenyl)-1-propylazepan-4-amine
CID 65074617
N-methyl-1-propylazepan-4-amine
CID 65072873
3-fluoro-4-methyl-5-[(1-propylazepan-4-yl)amino]benzonitrile
CID 65074572

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine (CID 102804462) is N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine is CCCN1CCCC(Nc2cn(C)nc2C)CC1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine?
The InChIKey is YCTNMLKUKGVEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-8-18-9-5-6-13(7-10-18)15-14-11-17(3)16-12(14)2/h11,13,15H,4-10H2,1-3H3.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine?
N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine is sourced from PubChem (CID 102804462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).