N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

C10H20N2 — CID 78909214

IUPACN-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC(C)CNC1=NCCCCC1
InChIInChI=1S/C10H20N2/c1-9(2)8-12-10-6-4-3-5-7-11-10/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyMVCAPAGRRDZKFO-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.20
Rot. Bonds2

About N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 78909214) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID78909214
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC(C)CNC1=NCCCCC1
InChIInChI=1S/C10H20N2/c1-9(2)8-12-10-6-4-3-5-7-11-10/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyMVCAPAGRRDZKFO-UHFFFAOYSA-N
XLogP2.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 49837664
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CID 52943520
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CID 52943521
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CID 52946533
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CID 52947155
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CID 52947156
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 78909214) is N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is CC(C)CNC1=NCCCCC1.
What is the InChIKey of N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is MVCAPAGRRDZKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)8-12-10-6-4-3-5-7-11-10/h9H,3-8H2,1-2H3,(H,11,12).
What are the key properties of N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 168.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 78909214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).