N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine

C15H29NO — CID 81385044

IUPACN-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
SMILESC[C@@H](NCCCC1CCCO1)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-13(14-7-3-2-4-8-14)16-11-5-9-15-10-6-12-17-15/h13-16H,2-12H2,1H3/t13-,15?/m1/s1
InChIKeyVATGUJWRBOKZCF-AFYYWNPRSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds6

About N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine

N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine (PubChem CID 81385044) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
PubChem CID81385044
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
SMILESC[C@@H](NCCCC1CCCO1)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-13(14-7-3-2-4-8-14)16-11-5-9-15-10-6-12-17-15/h13-16H,2-12H2,1H3/t13-,15?/m1/s1
InChIKeyVATGUJWRBOKZCF-AFYYWNPRSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
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

(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine
CID 93468404
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697
1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104629286
N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine
CID 65163624
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
3-cyclohexyl-N-(1-cyclopropylethyl)propan-1-amine
CID 115676362
1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104626329
1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917113
N-[3-(oxolan-2-yl)propyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 65163462

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine (CID 81385044) is N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine is C[C@@H](NCCCC1CCCO1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is VATGUJWRBOKZCF-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(14-7-3-2-4-8-14)16-11-5-9-15-10-6-12-17-15/h13-16H,2-12H2,1H3/t13-,15?/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine?
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 81385044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).