2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine

C9H18N2 — CID 10104005

IUPAC2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCCCC1CCCCC(N)=N1
InChIInChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyBHSPHDLXXIXNCX-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.09
Rot. Bonds2

About 2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine

2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 10104005) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID10104005
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCCCC1CCCCC(N)=N1
InChIInChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyBHSPHDLXXIXNCX-UHFFFAOYSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 10104005) is 2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is CCCC1CCCCC(N)=N1.
What is the InChIKey of 2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is BHSPHDLXXIXNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11).
What are the key properties of 2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 154.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 10104005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).