(5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine

C10H15N — CID 163504031

IUPAC(5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
SMILESC=C(C)C1=C(N)C[C@H](C)C=C1
InChIInChI=1S/C10H15N/c1-7(2)9-5-4-8(3)6-10(9)11/h4-5,8H,1,6,11H2,2-3H3/t8-/m1/s1
InChIKeyCXBYDPWEFPRMFO-MRVPVSSYSA-N
MW149.24 g/mol
LogP2.37
Rot. Bonds1

About (5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine

(5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine (PubChem CID 163504031) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
PubChem CID163504031
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
SMILESC=C(C)C1=C(N)C[C@H](C)C=C1
InChIInChI=1S/C10H15N/c1-7(2)9-5-4-8(3)6-10(9)11/h4-5,8H,1,6,11H2,2-3H3/t8-/m1/s1
InChIKeyCXBYDPWEFPRMFO-MRVPVSSYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine 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

1,7-dimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]hept-2-en-3-amine
CID 172575381
4-methyl-6-methylidene-N-(2-methylprop-1-enyl)cyclohex-2-en-1-imine
CID 142069674
CID 89168186
CID 89168186
5-methylcyclohexa-1,3-dien-1-amine
CID 67612284
1,2-dibromo-5-methylcyclohexa-1,3-diene
CID 163708440
1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene
CID 145377797
7-methyl-7,8-dihydroquinazolin-4-amine
CID 135259181
6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine
CID 89004071
(5S)-1-fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 70325778
(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene
CID 130391076
(2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen
CID 143344740
6-prop-1-en-2-yl-2,3-dihydro-1H-inden-5-amine
CID 135331231

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of (5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine (CID 163504031) is (5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for (5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for (5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine is C=C(C)C1=C(N)C[C@H](C)C=C1.
What is the InChIKey of (5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is CXBYDPWEFPRMFO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N/c1-7(2)9-5-4-8(3)6-10(9)11/h4-5,8H,1,6,11H2,2-3H3/t8-/m1/s1.
What are the key properties of (5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine?
(5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 163504031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).