7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine

C10H14N2 — CID 162731277

IUPAC7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine
SMILESC=C(C)C1=CC=C(C)N=C(N)C1
InChIInChI=1S/C10H14N2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h4-5H,1,6H2,2-3H3,(H2,11,12)
InChIKeyHJBRUSRCLNQOON-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.15
Rot. Bonds1

About 7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine

7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine (PubChem CID 162731277) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine.

Molecular Properties

Compound Name7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine
PubChem CID162731277
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine
SMILESC=C(C)C1=CC=C(C)N=C(N)C1
InChIInChI=1S/C10H14N2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h4-5H,1,6H2,2-3H3,(H2,11,12)
InChIKeyHJBRUSRCLNQOON-UHFFFAOYSA-N
XLogP2.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine?
The IUPAC name of 7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine (CID 162731277) is 7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine.
What is the SMILES notation for 7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine?
The canonical SMILES for 7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine is C=C(C)C1=CC=C(C)N=C(N)C1.
What is the InChIKey of 7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine?
The InChIKey is HJBRUSRCLNQOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h4-5H,1,6H2,2-3H3,(H2,11,12).
What are the key properties of 7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine?
7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine has a molecular weight of 162.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-prop-1-en-2-yl-3H-azepin-2-amine is sourced from PubChem (CID 162731277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).