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

C10H18N2 — CID 114616706

IUPACN-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESC=C(C)CNC1=NCCCCC1
InChIInChI=1S/C10H18N2/c1-9(2)8-12-10-6-4-3-5-7-11-10/h1,3-8H2,2H3,(H,11,12)
InChIKeyXHLAXWSBZCRZCL-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.12
Rot. Bonds2

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

N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 114616706) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID114616706
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESC=C(C)CNC1=NCCCCC1
InChIInChI=1S/C10H18N2/c1-9(2)8-12-10-6-4-3-5-7-11-10/h1,3-8H2,2H3,(H,11,12)
InChIKeyXHLAXWSBZCRZCL-UHFFFAOYSA-N
XLogP2.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine with MolForge

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Related Compounds

6-Ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
CID 22756056
N-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 57073429
N-butyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 78909138
N',2-dimethyl-N-propylprop-2-enimidamide
CID 118973463
N'-methyl-N-(2-methylbut-2-enyl)propanimidamide
CID 123564371
N-(3,3-dichloro-2-methylidenebutyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 142386841
2-methyl-N,N'-dipropylprop-2-enimidamide
CID 149152627
N-propyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 66490521
N-hexyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 78909119
N-pentyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 78909131
N-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 78909166
N-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 78909214

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 114616706) is N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is C=C(C)CNC1=NCCCCC1.
What is the InChIKey of N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is XHLAXWSBZCRZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)8-12-10-6-4-3-5-7-11-10/h1,3-8H2,2H3,(H,11,12).
What are the key properties of N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 166.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 114616706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).