N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine

C17H35N — CID 81392135

IUPACN-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C17H35N/c1-4-6-11-16(5-2)14-18-15(3)17-12-9-7-8-10-13-17/h15-18H,4-14H2,1-3H3/t15-,16?/m0/s1
InChIKeyMXFBKWMIZILIQI-VYRBHSGPSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds8

About N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine

N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine (PubChem CID 81392135) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
PubChem CID81392135
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C17H35N/c1-4-6-11-16(5-2)14-18-15(3)17-12-9-7-8-10-13-17/h15-18H,4-14H2,1-3H3/t15-,16?/m0/s1
InChIKeyMXFBKWMIZILIQI-VYRBHSGPSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine
CID 63492618
(2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine
CID 94431803
N-[(1S)-1-cyclohexylethyl]heptan-3-amine
CID 81387279
N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide
CID 7298055
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine (CID 81392135) is N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine is CCCCC(CC)CN[C@@H](C)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine?
The InChIKey is MXFBKWMIZILIQI-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H35N/c1-4-6-11-16(5-2)14-18-15(3)17-12-9-7-8-10-13-17/h15-18H,4-14H2,1-3H3/t15-,16?/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine?
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 81392135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).