(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine

C14H27N3 — CID 126661608

IUPAC(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine
SMILESCC/C(C)=C(CNC)\C(C)=N\C/C(C)=C\NC
InChIInChI=1S/C14H27N3/c1-7-12(3)14(10-16-6)13(4)17-9-11(2)8-15-5/h8,15-16H,7,9-10H2,1-6H3/b11-8-,14-12-,17-13+
InChIKeyRABZKXXKYZJQGI-GSWWSBEASA-N
MW237.39 g/mol
LogP2.52
Rot. Bonds7

About (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine

(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine (PubChem CID 126661608) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine
PubChem CID126661608
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine
SMILESCC/C(C)=C(CNC)\C(C)=N\C/C(C)=C\NC
InChIInChI=1S/C14H27N3/c1-7-12(3)14(10-16-6)13(4)17-9-11(2)8-15-5/h8,15-16H,7,9-10H2,1-6H3/b11-8-,14-12-,17-13+
InChIKeyRABZKXXKYZJQGI-GSWWSBEASA-N
XLogP2.52
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine?
The IUPAC name of (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine (CID 126661608) is (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine.
What is the SMILES notation for (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine?
The canonical SMILES for (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine is CC/C(C)=C(CNC)\C(C)=N\C/C(C)=C\NC.
What is the InChIKey of (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine?
The InChIKey is RABZKXXKYZJQGI-GSWWSBEASA-N. The full InChI is InChI=1S/C14H27N3/c1-7-12(3)14(10-16-6)13(4)17-9-11(2)8-15-5/h8,15-16H,7,9-10H2,1-6H3/b11-8-,14-12-,17-13+.
What are the key properties of (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine?
(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine is sourced from PubChem (CID 126661608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).