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

C13H25N3 — CID 145274030

IUPACethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine
SMILESC=C(NCCC)C1=NC=C(N)CCC1.CC
InChIInChI=1S/C11H19N3.C2H6/c1-3-7-13-9(2)11-6-4-5-10(12)8-14-11;1-2/h8,13H,2-7,12H2,1H3;1-2H3
InChIKeyKKFNASDRJVOYHT-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.95
Rot. Bonds4

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

ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine (PubChem CID 145274030) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine.

Molecular Properties

Compound Nameethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine
PubChem CID145274030
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Nameethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine
SMILESC=C(NCCC)C1=NC=C(N)CCC1.CC
InChIInChI=1S/C11H19N3.C2H6/c1-3-7-13-9(2)11-6-4-5-10(12)8-14-11;1-2/h8,13H,2-7,12H2,1H3;1-2H3
InChIKeyKKFNASDRJVOYHT-UHFFFAOYSA-N
XLogP2.95
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 88941573
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(Z)-1-(butan-2-ylideneamino)-N-ethylhex-1-en-2-amine
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2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
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ethane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-2-yl)ethenamine
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2-(3,4-dihydropyridin-2-yl)-N-ethenylethanamine;ethane
CID 144487465
4-methylimino-N-prop-1-en-2-ylpentan-1-amine
CID 145519628
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CID 155148440
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CID 158754569
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CID 159260597

Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine?
The IUPAC name of ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine (CID 145274030) is ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine.
What is the SMILES notation for ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine?
The canonical SMILES for ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine is C=C(NCCC)C1=NC=C(N)CCC1.CC.
What is the InChIKey of ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine?
The InChIKey is KKFNASDRJVOYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-3-7-13-9(2)11-6-4-5-10(12)8-14-11;1-2/h8,13H,2-7,12H2,1H3;1-2H3.
What are the key properties of ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine?
ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine has a molecular weight of 223.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine is sourced from PubChem (CID 145274030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).