[(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine

C10H15N — CID 167203745

IUPAC[(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine
SMILESC=C(C)C1=C[C@@H](CN)CC=C1
InChIInChI=1S/C10H15N/c1-8(2)10-5-3-4-9(6-10)7-11/h3,5-6,9H,1,4,7,11H2,2H3/t9-/m0/s1
InChIKeyMWFMLLDFBJMJCM-VIFPVBQESA-N
MW149.24 g/mol
LogP2.02
Rot. Bonds2

About [(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine

[(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 167203745) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is [(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine
PubChem CID167203745
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name[(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine
SMILESC=C(C)C1=C[C@@H](CN)CC=C1
InChIInChI=1S/C10H15N/c1-8(2)10-5-3-4-9(6-10)7-11/h3,5-6,9H,1,4,7,11H2,2H3/t9-/m0/s1
InChIKeyMWFMLLDFBJMJCM-VIFPVBQESA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine
CID 144638318
3-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 146359524
[4-(3-phenylbuta-1,3-dien-2-yl)cyclohexa-2,4-dien-1-yl]methanamine
CID 89044109
N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine
CID 163983354
[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 3-methylcyclohexa-2,4-diene-1-carboxylate
CID 123341980
4-[(3-carboxycyclohexa-2,4-dien-1-yl)methyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 70919707
5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
CID 12596386
(4-methylidenecyclohex-2-en-1-yl)methanamine
CID 91001190
5-prop-1-en-2-yl-3-propyl-2,3-dihydro-1H-pyrrole
CID 141432673
[(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate
CID 121370332
ethane;3-methylazetidine;1-methyl-4-prop-1-en-2-ylcyclohepta-1,3,5-triene
CID 153392432
1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane
CID 156650875

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine (CID 167203745) is [(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine is C=C(C)C1=C[C@@H](CN)CC=C1.
What is the InChIKey of [(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is MWFMLLDFBJMJCM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)10-5-3-4-9(6-10)7-11/h3,5-6,9H,1,4,7,11H2,2H3/t9-/m0/s1.
What are the key properties of [(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine?
[(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 149.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 167203745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).