(E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine

C10H15N — CID 144638318

IUPAC(E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine
SMILESC/C(=C\N)C1=C[C@@H](C)CC=C1
InChIInChI=1S/C10H15N/c1-8-4-3-5-10(6-8)9(2)7-11/h3,5-8H,4,11H2,1-2H3/b9-7+/t8-/m0/s1
InChIKeyQBGNYVUIWRFWOA-INTFFVIUSA-N
MW149.24 g/mol
LogP2.37
Rot. Bonds1

About (E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine

(E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine (PubChem CID 144638318) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine
PubChem CID144638318
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine
SMILESC/C(=C\N)C1=C[C@@H](C)CC=C1
InChIInChI=1S/C10H15N/c1-8-4-3-5-10(6-8)9(2)7-11/h3,5-8H,4,11H2,1-2H3/b9-7+/t8-/m0/s1
InChIKeyQBGNYVUIWRFWOA-INTFFVIUSA-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

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Related Compounds

2-chloro-6-methylcyclohexa-1,3-diene
CID 12828163
2-fluoro-6-methylcyclohexa-1,3-diene
CID 19795139
2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide
CID 118218247
6-chloro-2-pent-2-en-4-yn-2-ylcyclohexa-1,3-diene
CID 123725829
3-but-2-en-2-yl-8-methylcycloocta-1,3,5-triene
CID 123382258
4-methylcyclohepta-1,6-diene-1-carboxamide
CID 144921017
2-methoxy-1-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 155459470
N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
CID 143087943
N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 166078027
6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene
CID 142209321
[(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine
CID 167203745
2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene
CID 144902393

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine?
The IUPAC name of (E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine (CID 144638318) is (E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine.
What is the SMILES notation for (E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine?
The canonical SMILES for (E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine is C/C(=C\N)C1=C[C@@H](C)CC=C1.
What is the InChIKey of (E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine?
The InChIKey is QBGNYVUIWRFWOA-INTFFVIUSA-N. The full InChI is InChI=1S/C10H15N/c1-8-4-3-5-10(6-8)9(2)7-11/h3,5-8H,4,11H2,1-2H3/b9-7+/t8-/m0/s1.
What are the key properties of (E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine?
(E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-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 (E)-2-[(3S)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-en-1-amine is sourced from PubChem (CID 144638318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).