1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine

C14H27NO — CID 115893016

IUPAC1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCC(NCC1(C)CCOCC1)C1CCCC1
InChIInChI=1S/C14H27NO/c1-12(13-5-3-4-6-13)15-11-14(2)7-9-16-10-8-14/h12-13,15H,3-11H2,1-2H3
InChIKeyCVBCAAWALAGSNI-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds4

About 1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine

1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine (PubChem CID 115893016) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
PubChem CID115893016
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCC(NCC1(C)CCOCC1)C1CCCC1
InChIInChI=1S/C14H27NO/c1-12(13-5-3-4-6-13)15-11-14(2)7-9-16-10-8-14/h12-13,15H,3-11H2,1-2H3
InChIKeyCVBCAAWALAGSNI-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

1-cyclohexyl-N-[(1-methylcyclobutyl)methyl]ethanamine;hydrochloride
CID 115683928
(1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81393158
N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115889581
N-[(1-methylcyclopropyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103902883
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665
N-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 104586256
3,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 115893014
[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 103903221
N-[(4-methyloxan-4-yl)methyl]heptan-4-amine
CID 115893009
1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine
CID 75517003
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
CID 81385046
1-cyclohexyl-N-[(1-ethylcyclopropyl)methyl]ethanamine;hydrochloride
CID 115683925

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The IUPAC name of 1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine (CID 115893016) is 1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine is CC(NCC1(C)CCOCC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The InChIKey is CVBCAAWALAGSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(13-5-3-4-6-13)15-11-14(2)7-9-16-10-8-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine?
1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine 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 1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 115893016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).