(2R)-1-(oxepan-4-yl)pentan-2-amine

C11H23NO — CID 59201382

IUPAC(2R)-1-(oxepan-4-yl)pentan-2-amine
SMILESCCC[C@@H](N)CC1CCCOCC1
InChIInChI=1S/C11H23NO/c1-2-4-11(12)9-10-5-3-7-13-8-6-10/h10-11H,2-9,12H2,1H3/t10?,11-/m1/s1
InChIKeyNMQDLXAFARZEQC-RRKGBCIJSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds4

About (2R)-1-(oxepan-4-yl)pentan-2-amine

(2R)-1-(oxepan-4-yl)pentan-2-amine (PubChem CID 59201382) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R)-1-(oxepan-4-yl)pentan-2-amine.

Molecular Properties

Compound Name(2R)-1-(oxepan-4-yl)pentan-2-amine
PubChem CID59201382
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R)-1-(oxepan-4-yl)pentan-2-amine
SMILESCCC[C@@H](N)CC1CCCOCC1
InChIInChI=1S/C11H23NO/c1-2-4-11(12)9-10-5-3-7-13-8-6-10/h10-11H,2-9,12H2,1H3/t10?,11-/m1/s1
InChIKeyNMQDLXAFARZEQC-RRKGBCIJSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Oxan-3-yl)propan-1-amine
CID 65332455
(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
2-(3-Ethoxypropyl) cyclohexylamine
CID 13948384
2-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 61748889
2-Methyl-8-(2,2,2-trifluoroethoxy)octan-4-amine
CID 80435246
6-(11-Methyldodecoxy)hexane-2,3-diamine
CID 19902935
6-(8-Methylnonoxy)hexane-2,3-diamine
CID 21183268
6-(2-Tetradecyloctadecoxy)hexane-2,3-diamine
CID 53941526
(2R)-1-(oxan-3-yl)pentan-2-amine
CID 58017386
(2R)-1-[(3R)-oxan-3-yl]pentan-2-amine
CID 58017427
(2S)-2-[[(3R)-oxan-3-yl]methyl]butan-1-amine
CID 58330036

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(oxepan-4-yl)pentan-2-amine?
The IUPAC name of (2R)-1-(oxepan-4-yl)pentan-2-amine (CID 59201382) is (2R)-1-(oxepan-4-yl)pentan-2-amine.
What is the SMILES notation for (2R)-1-(oxepan-4-yl)pentan-2-amine?
The canonical SMILES for (2R)-1-(oxepan-4-yl)pentan-2-amine is CCC[C@@H](N)CC1CCCOCC1.
What is the InChIKey of (2R)-1-(oxepan-4-yl)pentan-2-amine?
The InChIKey is NMQDLXAFARZEQC-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-4-11(12)9-10-5-3-7-13-8-6-10/h10-11H,2-9,12H2,1H3/t10?,11-/m1/s1.
What are the key properties of (2R)-1-(oxepan-4-yl)pentan-2-amine?
(2R)-1-(oxepan-4-yl)pentan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(oxepan-4-yl)pentan-2-amine is sourced from PubChem (CID 59201382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).