N-(3-cyclohexylbutan-2-yl)oxolan-3-amine

C14H27NO — CID 115726479

IUPACN-(3-cyclohexylbutan-2-yl)oxolan-3-amine
SMILESCC(NC1CCOC1)C(C)C1CCCCC1
InChIInChI=1S/C14H27NO/c1-11(13-6-4-3-5-7-13)12(2)15-14-8-9-16-10-14/h11-15H,3-10H2,1-2H3
InChIKeyJIWCTPNQZVPPLZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds4

About N-(3-cyclohexylbutan-2-yl)oxolan-3-amine

N-(3-cyclohexylbutan-2-yl)oxolan-3-amine (PubChem CID 115726479) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(3-cyclohexylbutan-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3-cyclohexylbutan-2-yl)oxolan-3-amine
PubChem CID115726479
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(3-cyclohexylbutan-2-yl)oxolan-3-amine
SMILESCC(NC1CCOC1)C(C)C1CCCCC1
InChIInChI=1S/C14H27NO/c1-11(13-6-4-3-5-7-13)12(2)15-14-8-9-16-10-14/h11-15H,3-10H2,1-2H3
InChIKeyJIWCTPNQZVPPLZ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]oxan-4-amine
CID 93218328
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
N-[(1S)-1-cyclohexylethyl]oxetan-3-amine
CID 81388066
N-(1-bromopropan-2-yl)oxolan-3-amine
CID 107859755
(3S)-N-(1-cyclobutylethyl)oxan-3-amine
CID 130735135
N-cyclopropyl-2-(oxolan-3-ylamino)propanamide
CID 80713366
2-methyl-3-(oxan-3-ylamino)butan-1-ol
CID 115722841
N-(2-methylpentan-3-yl)oxolan-3-amine
CID 63335155
N-(3-methylbutan-2-yl)cycloheptanamine
CID 43181172
(3R)-N-cyclohexyloxolan-3-amine;hydrochloride
CID 166178208
N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine
CID 79244715
N-(1-bromo-3-methylbutan-2-yl)oxolan-3-amine
CID 107859241

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylbutan-2-yl)oxolan-3-amine?
The IUPAC name of N-(3-cyclohexylbutan-2-yl)oxolan-3-amine (CID 115726479) is N-(3-cyclohexylbutan-2-yl)oxolan-3-amine.
What is the SMILES notation for N-(3-cyclohexylbutan-2-yl)oxolan-3-amine?
The canonical SMILES for N-(3-cyclohexylbutan-2-yl)oxolan-3-amine is CC(NC1CCOC1)C(C)C1CCCCC1.
What is the InChIKey of N-(3-cyclohexylbutan-2-yl)oxolan-3-amine?
The InChIKey is JIWCTPNQZVPPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(13-6-4-3-5-7-13)12(2)15-14-8-9-16-10-14/h11-15H,3-10H2,1-2H3.
What are the key properties of N-(3-cyclohexylbutan-2-yl)oxolan-3-amine?
N-(3-cyclohexylbutan-2-yl)oxolan-3-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylbutan-2-yl)oxolan-3-amine is sourced from PubChem (CID 115726479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).