N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine

C15H31N3 — CID 139335643

IUPACN,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine
SMILESC=NN(CCCN(C)C)/C(=C\C)CCCC(C)C
InChIInChI=1S/C15H31N3/c1-7-15(11-8-10-14(2)3)18(16-4)13-9-12-17(5)6/h7,14H,4,8-13H2,1-3,5-6H3/b15-7-
InChIKeyISDCKQBTDCICRN-CHHVJCJISA-N
MW253.43 g/mol
LogP3.59
Rot. Bonds10

About N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine

N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine (PubChem CID 139335643) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine
PubChem CID139335643
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine
SMILESC=NN(CCCN(C)C)/C(=C\C)CCCC(C)C
InChIInChI=1S/C15H31N3/c1-7-15(11-8-10-14(2)3)18(16-4)13-9-12-17(5)6/h7,14H,4,8-13H2,1-3,5-6H3/b15-7-
InChIKeyISDCKQBTDCICRN-CHHVJCJISA-N
XLogP3.59
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

(Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine
CID 126567882
(Z)-7-methyl-N-(methylideneamino)-N-(4-methylpentyl)oct-2-en-3-amine
CID 126570427
(Z)-4,5-dimethyl-N-(methylideneamino)-N-propan-2-ylhept-2-en-3-amine
CID 138568185
N-[(2Z)-2-ethylidene-3-methylpiperidin-1-yl]methanimine
CID 169193514

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine?
The IUPAC name of N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine (CID 139335643) is N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine?
The canonical SMILES for N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine is C=NN(CCCN(C)C)/C(=C\C)CCCC(C)C.
What is the InChIKey of N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine?
The InChIKey is ISDCKQBTDCICRN-CHHVJCJISA-N. The full InChI is InChI=1S/C15H31N3/c1-7-15(11-8-10-14(2)3)18(16-4)13-9-12-17(5)6/h7,14H,4,8-13H2,1-3,5-6H3/b15-7-.
What are the key properties of N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine?
N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine has a molecular weight of 253.43 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(methylideneamino)-N'-[(Z)-7-methyloct-2-en-3-yl]propane-1,3-diamine is sourced from PubChem (CID 139335643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).