N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine

C18H37NO — CID 116500524

IUPACN-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C(C)C)CC1C(C)CCOC
InChIInChI=1S/C18H37NO/c1-6-10-19-13-17-8-7-16(14(2)3)12-18(17)15(4)9-11-20-5/h14-19H,6-13H2,1-5H3
InChIKeyPAYPKAZYSJEVNF-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.35
Rot. Bonds9

About N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine

N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine (PubChem CID 116500524) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
PubChem CID116500524
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C(C)C)CC1C(C)CCOC
InChIInChI=1S/C18H37NO/c1-6-10-19-13-17-8-7-16(14(2)3)12-18(17)15(4)9-11-20-5/h14-19H,6-13H2,1-5H3
InChIKeyPAYPKAZYSJEVNF-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-(1-methoxypropan-2-yl)cyclopropyl]methyl]propan-1-amine
CID 116503155
2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 107889423
N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine
CID 107889334
N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 107889421
N-[(2-butan-2-ylcyclobutyl)methyl]propan-1-amine
CID 81018359
N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 114477770
N-[[2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81030002
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998787
[2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine
CID 116500448
N-[[2-(4-bromo-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 114667530
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
N-(2-methoxyethyl)-N-propan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine
CID 82953360

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine (CID 116500524) is N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(C(C)C)CC1C(C)CCOC.
What is the InChIKey of N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The InChIKey is PAYPKAZYSJEVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-10-19-13-17-8-7-16(14(2)3)12-18(17)15(4)9-11-20-5/h14-19H,6-13H2,1-5H3.
What are the key properties of N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 116500524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).