3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol

C12H23NO — CID 107907101

IUPAC3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1C=CCCC1
InChIInChI=1S/C12H23NO/c1-3-12(14,4-2)10-13-11-8-6-5-7-9-11/h6,8,11,13-14H,3-5,7,9-10H2,1-2H3
InChIKeyZCUWZBSDZPAAJK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds5

About 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol

3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol (PubChem CID 107907101) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol
PubChem CID107907101
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1C=CCCC1
InChIInChI=1S/C12H23NO/c1-3-12(14,4-2)10-13-11-8-6-5-7-9-11/h6,8,11,13-14H,3-5,7,9-10H2,1-2H3
InChIKeyZCUWZBSDZPAAJK-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-cyclohexa-2,4-dien-1-yl-3-(methylamino)butan-2-ol
CID 129630658
(Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol
CID 167082463
Hepta-1,6-dien-4-ol, 4-(1,2,5,6-tetrahydro-2,6-diallyl-2-pyridyl)-
CID 595787
3-[(8-Amino-1,2,8,8a-tetrahydronaphthalen-1-yl)amino]but-1-en-2-ol
CID 89636904
4-(1,2-Dihydropyridin-2-yl)heptan-4-ol
CID 90321130
6-(Methylamino)-1-propylcyclohexa-2,4-dien-1-ol
CID 141018529
2-(2,2-Dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol
CID 141116192
1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol
CID 146773660
1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol
CID 149162872
4-methylpiperidin-4-ol;(E)-non-4-ene
CID 170590699
(Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol
CID 170694966
6-(Tert-butylamino)-1-ethylcyclohexa-2,4-dien-1-ol
CID 174986480

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol (CID 107907101) is 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol is CCC(O)(CC)CNC1C=CCCC1.
What is the InChIKey of 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol?
The InChIKey is ZCUWZBSDZPAAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-12(14,4-2)10-13-11-8-6-5-7-9-11/h6,8,11,13-14H,3-5,7,9-10H2,1-2H3.
What are the key properties of 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol?
3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-3-ol is sourced from PubChem (CID 107907101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).