2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol

C16H27NO — CID 70135090

IUPAC2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=CCN(CC=C)CC1CC(C(=C)C)CCC1O
InChIInChI=1S/C16H27NO/c1-5-9-17(10-6-2)12-15-11-14(13(3)4)7-8-16(15)18/h5-6,14-16,18H,1-3,7-12H2,4H3
InChIKeyYXTWUZGZDMOZKH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.01
Rot. Bonds7

About 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol

2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 70135090) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID70135090
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=CCN(CC=C)CC1CC(C(=C)C)CCC1O
InChIInChI=1S/C16H27NO/c1-5-9-17(10-6-2)12-15-11-14(13(3)4)7-8-16(15)18/h5-6,14-16,18H,1-3,7-12H2,4H3
InChIKeyYXTWUZGZDMOZKH-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol 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

2-[[bis(prop-2-enyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62704909
2-[[bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine
CID 55093744
[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol
CID 130848342
N-[[(2S)-oxiran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 94071055
1-ethyl-4-prop-1-en-2-yl-2-propylcyclohexane
CID 166161434
2-[[bis(prop-2-enyl)amino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 62614520
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
N-methylmethanamine;4-prop-1-en-2-ylcyclohexan-1-ol
CID 145232851
methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate
CID 166072623
2-[[bis(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55105830
cis-(1S,3R)-3-[tert-butyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092712
2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609053

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol (CID 70135090) is 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol is C=CCN(CC=C)CC1CC(C(=C)C)CCC1O.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is YXTWUZGZDMOZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-9-17(10-6-2)12-15-11-14(13(3)4)7-8-16(15)18/h5-6,14-16,18H,1-3,7-12H2,4H3.
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol?
2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 70135090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).