(Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine

C13H26N2 — CID 138568185

IUPAC(Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine
SMILESC=NN(/C(=C\C)C(C)C(C)CC)C(C)C
InChIInChI=1S/C13H26N2/c1-8-11(5)12(6)13(9-2)15(14-7)10(3)4/h9-12H,7-8H2,1-6H3/b13-9-
InChIKeyXLSPVJPBVIBMBM-LCYFTJDESA-N
MW210.36 g/mol
LogP3.90
Rot. Bonds6

About (Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine

(Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine (PubChem CID 138568185) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine.

Molecular Properties

Compound Name(Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine
PubChem CID138568185
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine
SMILESC=NN(/C(=C\C)C(C)C(C)CC)C(C)C
InChIInChI=1S/C13H26N2/c1-8-11(5)12(6)13(9-2)15(14-7)10(3)4/h9-12H,7-8H2,1-6H3/b13-9-
InChIKeyXLSPVJPBVIBMBM-LCYFTJDESA-N
XLogP3.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine?
The IUPAC name of (Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine (CID 138568185) is (Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine.
What is the SMILES notation for (Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine?
The canonical SMILES for (Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine is C=NN(/C(=C\C)C(C)C(C)CC)C(C)C.
What is the InChIKey of (Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine?
The InChIKey is XLSPVJPBVIBMBM-LCYFTJDESA-N. The full InChI is InChI=1S/C13H26N2/c1-8-11(5)12(6)13(9-2)15(14-7)10(3)4/h9-12H,7-8H2,1-6H3/b13-9-.
What are the key properties of (Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine?
(Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine has a molecular weight of 210.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine is sourced from PubChem (CID 138568185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).