N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine

C17H29N3O — CID 102952192

IUPACN-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)ncn1)C1CCC(CC)CC1
InChIInChI=1S/C17H29N3O/c1-4-10-18-17(14-8-6-13(5-2)7-9-14)15-11-16(21-3)20-12-19-15/h11-14,17-18H,4-10H2,1-3H3
InChIKeyOFBLXVKTGZZKMP-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.74
Rot. Bonds7

About N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine

N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 102952192) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
PubChem CID102952192
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)ncn1)C1CCC(CC)CC1
InChIInChI=1S/C17H29N3O/c1-4-10-18-17(14-8-6-13(5-2)7-9-14)15-11-16(21-3)20-12-19-15/h11-14,17-18H,4-10H2,1-3H3
InChIKeyOFBLXVKTGZZKMP-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952243
N-[(2-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952354
N-[(3,5-dimethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951887
2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950996
N-[(2,6-dimethyl-4-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 107504016
[2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953246
[cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 102953192
N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 105155197
N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155357
N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952263
N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 106654794
N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 79784078

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine (CID 102952192) is N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine is CCCNC(c1cc(OC)ncn1)C1CCC(CC)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is OFBLXVKTGZZKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-10-18-17(14-8-6-13(5-2)7-9-14)15-11-16(21-3)20-12-19-15/h11-14,17-18H,4-10H2,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 102952192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).