(3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine

C7H12N2 — CID 142131655

IUPAC(3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine
SMILESC=C/C(=C\N=C)CCN
InChIInChI=1S/C7H12N2/c1-3-7(4-5-8)6-9-2/h3,6H,1-2,4-5,8H2/b7-6+
InChIKeyPPBCCIAJURAWDT-VOTSOKGWSA-N
MW124.19 g/mol
LogP1.11
Rot. Bonds4

About (3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine

(3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine (PubChem CID 142131655) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine
PubChem CID142131655
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine
SMILESC=C/C(=C\N=C)CCN
InChIInChI=1S/C7H12N2/c1-3-7(4-5-8)6-9-2/h3,6H,1-2,4-5,8H2/b7-6+
InChIKeyPPBCCIAJURAWDT-VOTSOKGWSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethylidene-1-(methylideneamino)pent-4-en-1-amine
CID 23372026
(Z,3Z)-3-[(methylideneamino)methylidene]pent-1-en-1-amine
CID 89033888
(1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 89142453
(1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 90046074
N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide
CID 91474539
3-[(Ethylideneamino)methylidene]pent-4-en-1-amine
CID 123329638
N-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine
CID 123334114
(1Z,3Z)-2-ethyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 138460766
(Z)-2-methylidene-4-(methylideneamino)but-3-en-1-amine
CID 141990724
(2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine
CID 142166152
(Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine
CID 143076732
ethane;(3Z)-N-methyl-3-[(methylideneamino)methylidene]pent-4-en-1-amine
CID 144589085

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine?
The IUPAC name of (3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine (CID 142131655) is (3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine.
What is the SMILES notation for (3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine?
The canonical SMILES for (3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine is C=C/C(=C\N=C)CCN.
What is the InChIKey of (3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine?
The InChIKey is PPBCCIAJURAWDT-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7(4-5-8)6-9-2/h3,6H,1-2,4-5,8H2/b7-6+.
What are the key properties of (3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine?
(3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(methylideneamino)methylidene]pent-4-en-1-amine is sourced from PubChem (CID 142131655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).