N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine

C15H29NO — CID 81028730

IUPACN-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1C1CCOCC1
InChIInChI=1S/C15H29NO/c1-2-9-16-12-14-5-3-4-6-15(14)13-7-10-17-11-8-13/h13-16H,2-12H2,1H3
InChIKeyKGRMJDRSHUTKIM-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds5

About N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine

N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81028730) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine
PubChem CID81028730
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1C1CCOCC1
InChIInChI=1S/C15H29NO/c1-2-9-16-12-14-5-3-4-6-15(14)13-7-10-17-11-8-13/h13-16H,2-12H2,1H3
InChIKeyKGRMJDRSHUTKIM-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine
CID 81026009
N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine
CID 81033857
N-[[2-(3-ethylcyclohexyl)cyclohexyl]methyl]propan-1-amine
CID 81026761
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine
CID 81033535
N-[[2-(3-methylsulfonylcyclohexyl)cyclopentyl]methyl]propan-1-amine
CID 81034468
N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine
CID 114207979
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[[2-[(3Z)-3-butylcyclooct-3-en-1-yl]cycloheptyl]methyl]propan-1-amine
CID 166979259
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025790
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144
N-[(2-prop-2-enylcyclohexyl)methyl]propan-1-amine
CID 81027769

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine (CID 81028730) is N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1C1CCOCC1.
What is the InChIKey of N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is KGRMJDRSHUTKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-9-16-12-14-5-3-4-6-15(14)13-7-10-17-11-8-13/h13-16H,2-12H2,1H3.
What are the key properties of N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine?
N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81028730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).