(2S)-2-(cyclooctylamino)butan-1-ol

C12H25NO — CID 28723227

IUPAC(2S)-2-(cyclooctylamino)butan-1-ol
SMILESCC[C@@H](CO)NC1CCCCCCC1
InChIInChI=1S/C12H25NO/c1-2-11(10-14)13-12-8-6-4-3-5-7-9-12/h11-14H,2-10H2,1H3/t11-/m0/s1
InChIKeyOVMRONRQKKHAIN-NSHDSACASA-N
MW199.34 g/mol
LogP2.46
Rot. Bonds4

About (2S)-2-(cyclooctylamino)butan-1-ol

(2S)-2-(cyclooctylamino)butan-1-ol (PubChem CID 28723227) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2S)-2-(cyclooctylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(cyclooctylamino)butan-1-ol
PubChem CID28723227
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2S)-2-(cyclooctylamino)butan-1-ol
SMILESCC[C@@H](CO)NC1CCCCCCC1
InChIInChI=1S/C12H25NO/c1-2-11(10-14)13-12-8-6-4-3-5-7-9-12/h11-14H,2-10H2,1H3/t11-/m0/s1
InChIKeyOVMRONRQKKHAIN-NSHDSACASA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylcycloheptyl)amino]butan-1-ol
CID 65081279
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
(2S)-2-(piperidin-3-ylamino)butan-1-ol
CID 104980396
N-(1-methylsulfanylbutan-2-yl)cyclohexanamine
CID 115901653
(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
CID 28724606
2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol
CID 116504832
1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881655
2-(cyclooctylamino)-3-methylpentan-1-ol
CID 115891669
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
CID 43079522
2-(cyclododecylamino)propan-1-ol
CID 43499740
(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
CID 124576040

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclooctylamino)butan-1-ol?
The IUPAC name of (2S)-2-(cyclooctylamino)butan-1-ol (CID 28723227) is (2S)-2-(cyclooctylamino)butan-1-ol.
What is the SMILES notation for (2S)-2-(cyclooctylamino)butan-1-ol?
The canonical SMILES for (2S)-2-(cyclooctylamino)butan-1-ol is CC[C@@H](CO)NC1CCCCCCC1.
What is the InChIKey of (2S)-2-(cyclooctylamino)butan-1-ol?
The InChIKey is OVMRONRQKKHAIN-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO/c1-2-11(10-14)13-12-8-6-4-3-5-7-9-12/h11-14H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(cyclooctylamino)butan-1-ol?
(2S)-2-(cyclooctylamino)butan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclooctylamino)butan-1-ol is sourced from PubChem (CID 28723227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).