3-methyl-N,7-dipropyl-4H-azepin-2-amine

C13H22N2 — CID 143997990

IUPAC3-methyl-N,7-dipropyl-4H-azepin-2-amine
SMILESCCCNC1=C(C)CC=CC(CCC)=N1
InChIInChI=1S/C13H22N2/c1-4-7-12-9-6-8-11(3)13(15-12)14-10-5-2/h6,9,14H,4-5,7-8,10H2,1-3H3
InChIKeyYYIJHQUHDSPLTA-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.42
Rot. Bonds5

About 3-methyl-N,7-dipropyl-4H-azepin-2-amine

3-methyl-N,7-dipropyl-4H-azepin-2-amine (PubChem CID 143997990) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-N,7-dipropyl-4H-azepin-2-amine.

Molecular Properties

Compound Name3-methyl-N,7-dipropyl-4H-azepin-2-amine
PubChem CID143997990
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-methyl-N,7-dipropyl-4H-azepin-2-amine
SMILESCCCNC1=C(C)CC=CC(CCC)=N1
InChIInChI=1S/C13H22N2/c1-4-7-12-9-6-8-11(3)13(15-12)14-10-5-2/h6,9,14H,4-5,7-8,10H2,1-3H3
InChIKeyYYIJHQUHDSPLTA-UHFFFAOYSA-N
XLogP3.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,7-dipropyl-4H-azepin-2-amine?
The IUPAC name of 3-methyl-N,7-dipropyl-4H-azepin-2-amine (CID 143997990) is 3-methyl-N,7-dipropyl-4H-azepin-2-amine.
What is the SMILES notation for 3-methyl-N,7-dipropyl-4H-azepin-2-amine?
The canonical SMILES for 3-methyl-N,7-dipropyl-4H-azepin-2-amine is CCCNC1=C(C)CC=CC(CCC)=N1.
What is the InChIKey of 3-methyl-N,7-dipropyl-4H-azepin-2-amine?
The InChIKey is YYIJHQUHDSPLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-7-12-9-6-8-11(3)13(15-12)14-10-5-2/h6,9,14H,4-5,7-8,10H2,1-3H3.
What are the key properties of 3-methyl-N,7-dipropyl-4H-azepin-2-amine?
3-methyl-N,7-dipropyl-4H-azepin-2-amine has a molecular weight of 206.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,7-dipropyl-4H-azepin-2-amine is sourced from PubChem (CID 143997990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).