N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine

C15H29NO — CID 114534503

IUPACN-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNCC1(C2CCCCC2)CCOC1C
InChIInChI=1S/C15H29NO/c1-3-10-16-12-15(9-11-17-13(15)2)14-7-5-4-6-8-14/h13-14,16H,3-12H2,1-2H3
InChIKeyWNGYQYRKGWSWPZ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds5

About N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine

N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 114534503) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID114534503
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNCC1(C2CCCCC2)CCOC1C
InChIInChI=1S/C15H29NO/c1-3-10-16-12-15(9-11-17-13(15)2)14-7-5-4-6-8-14/h13-14,16H,3-12H2,1-2H3
InChIKeyWNGYQYRKGWSWPZ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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-[(3-cyclopropyl-2-methyloxolan-3-yl)methyl]propan-1-amine
CID 114534548
N-[(3-cyclopentyl-2-methyloxolan-3-yl)methyl]propan-2-amine
CID 114534707
N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine
CID 82933709
N-[(4-methyl-5-oxaspiro[2.4]heptan-2-yl)methyl]propan-1-amine
CID 82717348
N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
CID 82933014
N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534581
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534513
N-[[2-cyclopropyl-3-(trimethylsilylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106323947
N-(2-cyclohexylethyl)-2,3-dimethyloxolan-3-amine
CID 103529185
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 63010486
N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114933906
N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534558

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine (CID 114534503) is N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine is CCCNCC1(C2CCCCC2)CCOC1C.
What is the InChIKey of N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is WNGYQYRKGWSWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-10-16-12-15(9-11-17-13(15)2)14-7-5-4-6-8-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine?
N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-2-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114534503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).