[4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine

C14H23N3 — CID 65283213

IUPAC[4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine
SMILESCC1(C)CCCN(c2ccnc(CN)c2)CC1
InChIInChI=1S/C14H23N3/c1-14(2)5-3-8-17(9-6-14)13-4-7-16-12(10-13)11-15/h4,7,10H,3,5-6,8-9,11,15H2,1-2H3
InChIKeyQXPIAOXUCXHWOD-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.56
Rot. Bonds2

About [4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine

[4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine (PubChem CID 65283213) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine
PubChem CID65283213
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine
SMILESCC1(C)CCCN(c2ccnc(CN)c2)CC1
InChIInChI=1S/C14H23N3/c1-14(2)5-3-8-17(9-6-14)13-4-7-16-12(10-13)11-15/h4,7,10H,3,5-6,8-9,11,15H2,1-2H3
InChIKeyQXPIAOXUCXHWOD-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine
CID 62298748
[4-(3-methoxypiperidin-1-yl)-2-pyridinyl]methanamine
CID 102955936
[6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine
CID 65281689
4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine
CID 113367796
5-(4,4-dimethylazepan-1-yl)-2-methylaniline
CID 65283379
[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methanamine
CID 79182680
[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 62937884
1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737651
(4-pyrrolidin-1-yl-2-pyridinyl)methanol
CID 61253003
2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine
CID 79251366
1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol
CID 106667686
[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine
CID 114412650

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine (CID 65283213) is [4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine is CC1(C)CCCN(c2ccnc(CN)c2)CC1.
What is the InChIKey of [4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine?
The InChIKey is QXPIAOXUCXHWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2)5-3-8-17(9-6-14)13-4-7-16-12(10-13)11-15/h4,7,10H,3,5-6,8-9,11,15H2,1-2H3.
What are the key properties of [4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine?
[4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 65283213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).