(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol

C13H27NO — CID 97051641

IUPAC(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
SMILESC[C@H](CCCO)N[C@H](C)C1CCCCC1
InChIInChI=1S/C13H27NO/c1-11(7-6-10-15)14-12(2)13-8-4-3-5-9-13/h11-15H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyPPGHOCYKBHDUHK-VXGBXAGGSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds6

About (4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol

(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol (PubChem CID 97051641) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
PubChem CID97051641
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
SMILESC[C@H](CCCO)N[C@H](C)C1CCCCC1
InChIInChI=1S/C13H27NO/c1-11(7-6-10-15)14-12(2)13-8-4-3-5-9-13/h11-15H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyPPGHOCYKBHDUHK-VXGBXAGGSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cycloheptylethyl]heptan-2-amine
CID 81390133
(2R)-2-(1-cyclopentylethylamino)propan-1-ol
CID 114987079
(3R)-3-(1-cyclopropylethylamino)butan-1-ol
CID 103871785
4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43761162
(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
4-(cyclopentylamino)pentan-1-ol
CID 75356492
N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
CID 114279938
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-(1-cyclopropylethyl)hexan-2-amine
CID 43776552
3-(1-cyclopentylethylamino)-4-methylpentan-1-ol
CID 115724580
N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine
CID 81385535
3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
CID 113438636

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol?
The IUPAC name of (4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol (CID 97051641) is (4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol.
What is the SMILES notation for (4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol?
The canonical SMILES for (4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol is C[C@H](CCCO)N[C@H](C)C1CCCCC1.
What is the InChIKey of (4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol?
The InChIKey is PPGHOCYKBHDUHK-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(7-6-10-15)14-12(2)13-8-4-3-5-9-13/h11-15H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol?
(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol is sourced from PubChem (CID 97051641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).