(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine

C10H15N — CID 70312074

IUPAC(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine
SMILESC=C(C)C1=CCC(CN)C=C1
InChIInChI=1S/C10H15N/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5-6,9H,1,4,7,11H2,2H3
InChIKeyONDLBDUGBGHOIE-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.02
Rot. Bonds2

About (4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine

(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 70312074) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine
PubChem CID70312074
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine
SMILESC=C(C)C1=CCC(CN)C=C1
InChIInChI=1S/C10H15N/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5-6,9H,1,4,7,11H2,2H3
InChIKeyONDLBDUGBGHOIE-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine (CID 70312074) is (4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine is C=C(C)C1=CCC(CN)C=C1.
What is the InChIKey of (4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is ONDLBDUGBGHOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5-6,9H,1,4,7,11H2,2H3.
What are the key properties of (4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine?
(4-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 (4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 70312074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).