3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine

C16H27N3O — CID 116764129

IUPAC3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine
SMILESCCNC(c1cnccc1N)C1(OCC)CCCCC1
InChIInChI=1S/C16H27N3O/c1-3-19-15(13-12-18-11-8-14(13)17)16(20-4-2)9-6-5-7-10-16/h8,11-12,15,19H,3-7,9-10H2,1-2H3,(H2,17,18)
InChIKeyTXMVGPVTULWWBS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.05
Rot. Bonds6

About 3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine

3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine (PubChem CID 116764129) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine
PubChem CID116764129
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine
SMILESCCNC(c1cnccc1N)C1(OCC)CCCCC1
InChIInChI=1S/C16H27N3O/c1-3-19-15(13-12-18-11-8-14(13)17)16(20-4-2)9-6-5-7-10-16/h8,11-12,15,19H,3-7,9-10H2,1-2H3,(H2,17,18)
InChIKeyTXMVGPVTULWWBS-UHFFFAOYSA-N
XLogP3.05
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethylamino-(1-methoxycyclopentyl)methyl]pyridin-4-amine
CID 104611312
(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol
CID 116756255
3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine
CID 116763449
[(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105275756
3-[2-amino-2-(1-ethoxycyclohexyl)ethyl]pyridin-4-amine
CID 116763733
(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol
CID 116756029
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278
N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764056
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 116764059
3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
CID 116769953
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine?
The IUPAC name of 3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine (CID 116764129) is 3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine is CCNC(c1cnccc1N)C1(OCC)CCCCC1.
What is the InChIKey of 3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine?
The InChIKey is TXMVGPVTULWWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-19-15(13-12-18-11-8-14(13)17)16(20-4-2)9-6-5-7-10-16/h8,11-12,15,19H,3-7,9-10H2,1-2H3,(H2,17,18).
What are the key properties of 3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine?
3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 116764129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).