(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine

C14H27NO — CID 93468404

IUPAC(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine
SMILESC[C@H](NCC[C@@H]1CCCO1)C1CCCCC1
InChIInChI=1S/C14H27NO/c1-12(13-6-3-2-4-7-13)15-10-9-14-8-5-11-16-14/h12-15H,2-11H2,1H3/t12-,14-/m0/s1
InChIKeyNYVCZIGDWXEIOL-JSGCOSHPSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds5

About (1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine

(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine (PubChem CID 93468404) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine
PubChem CID93468404
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine
SMILESC[C@H](NCC[C@@H]1CCCO1)C1CCCCC1
InChIInChI=1S/C14H27NO/c1-12(13-6-3-2-4-7-13)15-10-9-14-8-5-11-16-14/h12-15H,2-11H2,1H3/t12-,14-/m0/s1
InChIKeyNYVCZIGDWXEIOL-JSGCOSHPSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917113
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 115708972
1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 107859707
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697
N-methyl-2-[2-(oxolan-2-yl)ethylamino]propanamide
CID 61038745
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
6-methyl-N-[2-(oxolan-2-yl)ethyl]heptan-2-amine
CID 65163408
N-(1-cyclopropylethyl)-N'-methyl-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62554352
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine (CID 93468404) is (1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine is C[C@H](NCC[C@@H]1CCCO1)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine?
The InChIKey is NYVCZIGDWXEIOL-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(13-6-3-2-4-7-13)15-10-9-14-8-5-11-16-14/h12-15H,2-11H2,1H3/t12-,14-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine?
(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine is sourced from PubChem (CID 93468404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).