3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine

C16H27N3O — CID 116763449

IUPAC3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine
SMILESCCCNC(c1cnccc1N)C1(OC)CCCCC1
InChIInChI=1S/C16H27N3O/c1-3-10-19-15(13-12-18-11-7-14(13)17)16(20-2)8-5-4-6-9-16/h7,11-12,15,19H,3-6,8-10H2,1-2H3,(H2,17,18)
InChIKeyGCPDHEYGMZFDHW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.05
Rot. Bonds6

About 3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine

3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine (PubChem CID 116763449) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine
PubChem CID116763449
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine
SMILESCCCNC(c1cnccc1N)C1(OC)CCCCC1
InChIInChI=1S/C16H27N3O/c1-3-10-19-15(13-12-18-11-7-14(13)17)16(20-2)8-5-4-6-9-16/h7,11-12,15,19H,3-6,8-10H2,1-2H3,(H2,17,18)
InChIKeyGCPDHEYGMZFDHW-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
3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine
CID 116764129
(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol
CID 116756029
3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
CID 116769953
(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol
CID 116756255
N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763409
N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 104611341
3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine
CID 116714089
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483
3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 116763051
3-[[1-(dimethylamino)cyclohexyl]-(methylamino)methyl]pyridin-4-amine
CID 79066743

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine?
The IUPAC name of 3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine (CID 116763449) is 3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine is CCCNC(c1cnccc1N)C1(OC)CCCCC1.
What is the InChIKey of 3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine?
The InChIKey is GCPDHEYGMZFDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-10-19-15(13-12-18-11-7-14(13)17)16(20-2)8-5-4-6-9-16/h7,11-12,15,19H,3-6,8-10H2,1-2H3,(H2,17,18).
What are the key properties of 3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine?
3-[(1-methoxycyclohexyl)-(propylamino)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-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 116763449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).