prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol

C15H31NO — CID 143207585

IUPACprop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol
SMILESC=CC.CCCC1CCCCC1CCNCO
InChIInChI=1S/C12H25NO.C3H6/c1-2-5-11-6-3-4-7-12(11)8-9-13-10-14;1-3-2/h11-14H,2-10H2,1H3;3H,1H2,2H3
InChIKeyIZGCZJWEWJUWQZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.71
Rot. Bonds6

About prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol

prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol (PubChem CID 143207585) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol.

Molecular Properties

Compound Nameprop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol
PubChem CID143207585
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameprop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol
SMILESC=CC.CCCC1CCCCC1CCNCO
InChIInChI=1S/C12H25NO.C3H6/c1-2-5-11-6-3-4-7-12(11)8-9-13-10-14;1-3-2/h11-14H,2-10H2,1H3;3H,1H2,2H3
InChIKeyIZGCZJWEWJUWQZ-UHFFFAOYSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine
CID 125469957
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
N-[[2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-1-amine
CID 114477721
2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine
CID 63861508
N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine
CID 81027900
(1R)-2-propylcyclohexan-1-ol
CID 144627240
N-[2-[(1S,2S)-2-methoxycyclohexyl]ethyl]prop-2-en-1-amine
CID 97035405
N-[2-[(1R,2S)-2-methoxycyclohexyl]ethyl]prop-2-en-1-amine
CID 97035403
N-[(2-prop-2-enylcyclohexyl)methyl]propan-1-amine
CID 81027769
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol?
The IUPAC name of prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol (CID 143207585) is prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol.
What is the SMILES notation for prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol?
The canonical SMILES for prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol is C=CC.CCCC1CCCCC1CCNCO.
What is the InChIKey of prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol?
The InChIKey is IZGCZJWEWJUWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C3H6/c1-2-5-11-6-3-4-7-12(11)8-9-13-10-14;1-3-2/h11-14H,2-10H2,1H3;3H,1H2,2H3.
What are the key properties of prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol?
prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol has a molecular weight of 241.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;[2-(2-propylcyclohexyl)ethylamino]methanol is sourced from PubChem (CID 143207585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).