(Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine

C8H15N3 — CID 178131377

IUPAC(Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine
SMILESC/C(=C/N)C1=NCCNCC1
InChIInChI=1S/C8H15N3/c1-7(6-9)8-2-3-10-4-5-11-8/h6,10H,2-5,9H2,1H3/b7-6-
InChIKeyJRWJQRMGYBVPOL-SREVYHEPSA-N
MW153.23 g/mol
LogP0.28
Rot. Bonds1

About (Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine

(Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine (PubChem CID 178131377) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine
PubChem CID178131377
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine
SMILESC/C(=C/N)C1=NCCNCC1
InChIInChI=1S/C8H15N3/c1-7(6-9)8-2-3-10-4-5-11-8/h6,10H,2-5,9H2,1H3/b7-6-
InChIKeyJRWJQRMGYBVPOL-SREVYHEPSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine
CID 58984556
N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine
CID 123955239
(Z)-(4-methyliminopiperidin-3-ylidene)methanamine
CID 138571622
ethane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-2-yl)ethenamine
CID 144086778
ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine
CID 145274030
2-(1,2,3,6-Tetrahydropyrazin-5-yl)but-1-en-1-amine
CID 152721867
N-ethyl-3-methyl-2-(2-methylprop-1-enylimino)but-3-en-1-amine
CID 156421134
(4-Methyliminopiperidin-3-ylidene)methanamine
CID 173799727
(3-Ethyliminopiperidin-4-ylidene)methanamine
CID 174096877
ethane;(Z)-(4-methyliminopiperidin-3-ylidene)methanamine;molecular hydrogen
CID 177062489
N-ethyl-1-(5-methyl-3,4-dihydropyridin-2-yl)ethenamine
CID 144086779
2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine
CID 145274031

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine (CID 178131377) is (Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine is C/C(=C/N)C1=NCCNCC1.
What is the InChIKey of (Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine?
The InChIKey is JRWJQRMGYBVPOL-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(6-9)8-2-3-10-4-5-11-8/h6,10H,2-5,9H2,1H3/b7-6-.
What are the key properties of (Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine?
(Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine is sourced from PubChem (CID 178131377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).