(Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine

C14H28N2 — CID 155308601

IUPAC(Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine
SMILESCC/C=C\C[C@@H](NC)C(C)(CC)/N=C/CC
InChIInChI=1S/C14H28N2/c1-6-9-10-11-13(15-5)14(4,8-3)16-12-7-2/h9-10,12-13,15H,6-8,11H2,1-5H3/b10-9-,16-12+/t13-,14?/m1/s1
InChIKeyJLDBNEGNWZVYDF-AATONWFOSA-N
MW224.39 g/mol
LogP3.58
Rot. Bonds8

About (Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine

(Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine (PubChem CID 155308601) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine.

Molecular Properties

Compound Name(Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine
PubChem CID155308601
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine
SMILESCC/C=C\C[C@@H](NC)C(C)(CC)/N=C/CC
InChIInChI=1S/C14H28N2/c1-6-9-10-11-13(15-5)14(4,8-3)16-12-7-2/h9-10,12-13,15H,6-8,11H2,1-5H3/b10-9-,16-12+/t13-,14?/m1/s1
InChIKeyJLDBNEGNWZVYDF-AATONWFOSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine?
The IUPAC name of (Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine (CID 155308601) is (Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine.
What is the SMILES notation for (Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine?
The canonical SMILES for (Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine is CC/C=C\C[C@@H](NC)C(C)(CC)/N=C/CC.
What is the InChIKey of (Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine?
The InChIKey is JLDBNEGNWZVYDF-AATONWFOSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-9-10-11-13(15-5)14(4,8-3)16-12-7-2/h9-10,12-13,15H,6-8,11H2,1-5H3/b10-9-,16-12+/t13-,14?/m1/s1.
What are the key properties of (Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine?
(Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine has a molecular weight of 224.39 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-N,3-dimethyl-3-(propylideneamino)non-6-en-4-amine is sourced from PubChem (CID 155308601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).