4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine

C16H30N4 — CID 103011040

IUPAC4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine
SMILESCn1cc(CCC(N)C(C)(C)N2CCCCCC2)cn1
InChIInChI=1S/C16H30N4/c1-16(2,20-10-6-4-5-7-11-20)15(17)9-8-14-12-18-19(3)13-14/h12-13,15H,4-11,17H2,1-3H3
InChIKeyAWAXAICATDCCGC-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.33
Rot. Bonds5

About 4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine

4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine (PubChem CID 103011040) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine
PubChem CID103011040
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine
SMILESCn1cc(CCC(N)C(C)(C)N2CCCCCC2)cn1
InChIInChI=1S/C16H30N4/c1-16(2,20-10-6-4-5-7-11-20)15(17)9-8-14-12-18-19(3)13-14/h12-13,15H,4-11,17H2,1-3H3
InChIKeyAWAXAICATDCCGC-UHFFFAOYSA-N
XLogP2.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385
4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine
CID 103011088
5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103029608
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892
2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol
CID 79051966
1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011964
1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011693
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
5-amino-6,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-one
CID 103024107
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 79051106
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine?
The IUPAC name of 4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine (CID 103011040) is 4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine.
What is the SMILES notation for 4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine?
The canonical SMILES for 4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine is Cn1cc(CCC(N)C(C)(C)N2CCCCCC2)cn1.
What is the InChIKey of 4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine?
The InChIKey is AWAXAICATDCCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-16(2,20-10-6-4-5-7-11-20)15(17)9-8-14-12-18-19(3)13-14/h12-13,15H,4-11,17H2,1-3H3.
What are the key properties of 4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine?
4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine has a molecular weight of 278.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine is sourced from PubChem (CID 103011040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).