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

C16H27N3 — CID 79251280

IUPAC2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(CN2CCCC(C)(C)CC2)c1
InChIInChI=1S/C16H27N3/c1-4-17-14-6-9-18-15(12-14)13-19-10-5-7-16(2,3)8-11-19/h6,9,12H,4-5,7-8,10-11,13H2,1-3H3,(H,17,18)
InChIKeyKFQXANNBBHGYAY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.53
Rot. Bonds4

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

2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine (PubChem CID 79251280) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine
PubChem CID79251280
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(CN2CCCC(C)(C)CC2)c1
InChIInChI=1S/C16H27N3/c1-4-17-14-6-9-18-15(12-14)13-19-10-5-7-16(2,3)8-11-19/h6,9,12H,4-5,7-8,10-11,13H2,1-3H3,(H,17,18)
InChIKeyKFQXANNBBHGYAY-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine
CID 79251366
2-[[4-(ethylamino)-2-pyridinyl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097574
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 79245667
N-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-4-amine
CID 79251269
2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine
CID 79251522
N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 112549006
1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-methylpiperidine-4-carboxamide
CID 79245258
2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine
CID 79245088
ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 79245074
N-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
CID 81200136
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79250929
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-ethylpyridin-4-amine
CID 102728154

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine?
The IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine (CID 79251280) is 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine.
What is the SMILES notation for 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine?
The canonical SMILES for 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine is CCNc1ccnc(CN2CCCC(C)(C)CC2)c1.
What is the InChIKey of 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine?
The InChIKey is KFQXANNBBHGYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-17-14-6-9-18-15(12-14)13-19-10-5-7-16(2,3)8-11-19/h6,9,12H,4-5,7-8,10-11,13H2,1-3H3,(H,17,18).
What are the key properties of 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine?
2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.53, 4 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]-N-ethylpyridin-4-amine is sourced from PubChem (CID 79251280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).