2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine

C14H23N3 — CID 79251366

IUPAC2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine
SMILESCC1(C)CCCN(Cc2cc(N)ccn2)CC1
InChIInChI=1S/C14H23N3/c1-14(2)5-3-8-17(9-6-14)11-13-10-12(15)4-7-16-13/h4,7,10H,3,5-6,8-9,11H2,1-2H3,(H2,15,16)
InChIKeyMNBJSWLIQZLTDA-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.68
Rot. Bonds2

About 2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine

2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine (PubChem CID 79251366) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine
PubChem CID79251366
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine
SMILESCC1(C)CCCN(Cc2cc(N)ccn2)CC1
InChIInChI=1S/C14H23N3/c1-14(2)5-3-8-17(9-6-14)11-13-10-12(15)4-7-16-13/h4,7,10H,3,5-6,8-9,11H2,1-2H3,(H2,15,16)
InChIKeyMNBJSWLIQZLTDA-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine (CID 79251366) is 2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine is CC1(C)CCCN(Cc2cc(N)ccn2)CC1.
What is the InChIKey of 2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine?
The InChIKey is MNBJSWLIQZLTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2)5-3-8-17(9-6-14)11-13-10-12(15)4-7-16-13/h4,7,10H,3,5-6,8-9,11H2,1-2H3,(H2,15,16).
What are the key properties of 2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine?
2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79251366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).