(Z)-3-(ethylideneamino)pent-2-en-1-amine

C7H14N2 — CID 123746712

IUPAC(Z)-3-(ethylideneamino)pent-2-en-1-amine
SMILESC/C=N/C(=C\CN)CC
InChIInChI=1S/C7H14N2/c1-3-7(5-6-8)9-4-2/h4-5H,3,6,8H2,1-2H3/b7-5-,9-4+
InChIKeyRMGIGDZOPYOWBK-YQDRFQIPSA-N
MW126.20 g/mol
LogP1.33
Rot. Bonds3

About (Z)-3-(ethylideneamino)pent-2-en-1-amine

(Z)-3-(ethylideneamino)pent-2-en-1-amine (PubChem CID 123746712) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-3-(ethylideneamino)pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(ethylideneamino)pent-2-en-1-amine
PubChem CID123746712
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-3-(ethylideneamino)pent-2-en-1-amine
SMILESC/C=N/C(=C\CN)CC
InChIInChI=1S/C7H14N2/c1-3-7(5-6-8)9-4-2/h4-5H,3,6,8H2,1-2H3/b7-5-,9-4+
InChIKeyRMGIGDZOPYOWBK-YQDRFQIPSA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Dihydropyridin-4(1h)-imine
CID 19906283
4-Fluoro-1-methyliminopent-2-en-3-amine
CID 173565633
N-pent-2-en-3-ylethanimine
CID 20761973
2-(3H-pyrrol-5-yl)ethanamine
CID 23562965
2,3-Dihydropyridin-5-amine
CID 54086038
1-(3H-pyrrol-5-yl)propan-2-amine
CID 57543443
N-methyl-2-(3H-pyrrol-5-yl)ethanamine
CID 58164545
N-methyl-1-(3H-pyrrol-5-yl)methanamine
CID 59927603
(1R)-1-(3,4-dihydropyridin-6-yl)propan-1-amine
CID 69917672
(Z)-N-methyl-4-(methylideneamino)pent-3-en-2-amine
CID 88245612
(Z)-3-(ethylideneamino)pent-3-en-1-amine
CID 89028862
2,3-Dihydropyridine-3,4-diamine
CID 89105867

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(ethylideneamino)pent-2-en-1-amine?
The IUPAC name of (Z)-3-(ethylideneamino)pent-2-en-1-amine (CID 123746712) is (Z)-3-(ethylideneamino)pent-2-en-1-amine.
What is the SMILES notation for (Z)-3-(ethylideneamino)pent-2-en-1-amine?
The canonical SMILES for (Z)-3-(ethylideneamino)pent-2-en-1-amine is C/C=N/C(=C\CN)CC.
What is the InChIKey of (Z)-3-(ethylideneamino)pent-2-en-1-amine?
The InChIKey is RMGIGDZOPYOWBK-YQDRFQIPSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-7(5-6-8)9-4-2/h4-5H,3,6,8H2,1-2H3/b7-5-,9-4+.
What are the key properties of (Z)-3-(ethylideneamino)pent-2-en-1-amine?
(Z)-3-(ethylideneamino)pent-2-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(ethylideneamino)pent-2-en-1-amine is sourced from PubChem (CID 123746712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).