(3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide

C14H26N4 — CID 142994747

IUPAC(3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide
SMILES[H]/N=C(\C/C=C\C(N)=C(/C)N(C)C)N(C)/C(C)=C/C
InChIInChI=1S/C14H26N4/c1-7-11(2)18(6)14(16)10-8-9-13(15)12(3)17(4)5/h7-9,16H,10,15H2,1-6H3/b9-8-,11-7+,13-12-,16-14+
InChIKeyDDTZEFCULSFXOX-ZJZRLJSJSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds5

About (3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide

(3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide (PubChem CID 142994747) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is (3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide.

Molecular Properties

Compound Name(3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide
PubChem CID142994747
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name(3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide
SMILES[H]/N=C(\C/C=C\C(N)=C(/C)N(C)C)N(C)/C(C)=C/C
InChIInChI=1S/C14H26N4/c1-7-11(2)18(6)14(16)10-8-9-13(15)12(3)17(4)5/h7-9,16H,10,15H2,1-6H3/b9-8-,11-7+,13-12-,16-14+
InChIKeyDDTZEFCULSFXOX-ZJZRLJSJSA-N
XLogP2.52
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide
CID 89402555
N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
1-Ethanimidoyl-5-ethyl-6-iminopyridin-3-amine
CID 130256682
(3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide;buta-1,3-diene;ethane
CID 142994746
N-methyl-N-[(1E,4Z)-4-methylcycloocta-1,4,7-trien-1-yl]pentanimidamide
CID 153556068
(2Z,3Z,5E)-6-amino-N-methanimidoyl-N-propan-2-yl-2-propylidenehepta-3,5-dienimidamide
CID 153595132
(4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide
CID 166079276
(Z)-N-(1-cyclohepta-1,4,6-trien-1-ylethenyl)-N-methylhex-3-enimidamide
CID 170977404

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide?
The IUPAC name of (3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide (CID 142994747) is (3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide.
What is the SMILES notation for (3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide?
The canonical SMILES for (3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide is [H]/N=C(\C/C=C\C(N)=C(/C)N(C)C)N(C)/C(C)=C/C.
What is the InChIKey of (3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide?
The InChIKey is DDTZEFCULSFXOX-ZJZRLJSJSA-N. The full InChI is InChI=1S/C14H26N4/c1-7-11(2)18(6)14(16)10-8-9-13(15)12(3)17(4)5/h7-9,16H,10,15H2,1-6H3/b9-8-,11-7+,13-12-,16-14+.
What are the key properties of (3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide?
(3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide has a molecular weight of 250.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide is sourced from PubChem (CID 142994747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).