2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine

C11H19N3 — CID 145274031

IUPAC2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine
SMILESC=C(NCCC)C1=NC=C(N)CCC1
InChIInChI=1S/C11H19N3/c1-3-7-13-9(2)11-6-4-5-10(12)8-14-11/h8,13H,2-7,12H2,1H3
InChIKeyGGNDLYMDBGDLBY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.92
Rot. Bonds4

About 2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine

2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine (PubChem CID 145274031) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine.

Molecular Properties

Compound Name2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine
PubChem CID145274031
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine
SMILESC=C(NCCC)C1=NC=C(N)CCC1
InChIInChI=1S/C11H19N3/c1-3-7-13-9(2)11-6-4-5-10(12)8-14-11/h8,13H,2-7,12H2,1H3
InChIKeyGGNDLYMDBGDLBY-UHFFFAOYSA-N
XLogP1.92
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-azirin-2-yl)pentan-2-imine
CID 88941573
N-[2-(7-methyl-2-pentyl-4H-azepin-6-yl)ethyl]prop-1-en-2-amine
CID 139384277
(Z)-1-(butan-2-ylideneamino)-N-ethylhex-1-en-2-amine
CID 141880142
N-methylmethanamine;6-methyl-2,3,4,5-tetrahydropyridine;N-prop-1-en-2-ylpropan-1-amine
CID 142051156
4-ethenylimino-N-methylhex-5-en-1-amine
CID 142295426
2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143498553
ethane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-2-yl)ethenamine
CID 144086778
2-(3,4-dihydropyridin-2-yl)-N-ethenylethanamine;ethane
CID 144487465
ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine
CID 145274030
4-methylimino-N-prop-1-en-2-ylpentan-1-amine
CID 145519628
9-methylimino-N-propan-2-yldec-1-en-2-amine
CID 155148440
2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine
CID 158754569

Frequently Asked Questions

What is the IUPAC name of 2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine?
The IUPAC name of 2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine (CID 145274031) is 2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine.
What is the SMILES notation for 2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine?
The canonical SMILES for 2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine is C=C(NCCC)C1=NC=C(N)CCC1.
What is the InChIKey of 2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine?
The InChIKey is GGNDLYMDBGDLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-7-13-9(2)11-6-4-5-10(12)8-14-11/h8,13H,2-7,12H2,1H3.
What are the key properties of 2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine?
2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine has a molecular weight of 193.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine is sourced from PubChem (CID 145274031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).