N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine

C9H18N2 — CID 5302106

IUPACN-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC(C)NC1=NCCCCC1
InChIInChI=1S/C9H18N2/c1-8(2)11-9-6-4-3-5-7-10-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyLMAPEKNCCRZTAY-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.96
Rot. Bonds1

About N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 5302106) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID5302106
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC(C)NC1=NCCCCC1
InChIInChI=1S/C9H18N2/c1-8(2)11-9-6-4-3-5-7-10-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyLMAPEKNCCRZTAY-UHFFFAOYSA-N
XLogP1.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 5302106) is N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine is CC(C)NC1=NCCCCC1.
What is the InChIKey of N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is LMAPEKNCCRZTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)11-9-6-4-3-5-7-10-9/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 154.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 5302106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).