N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine

C14H28N2 — CID 146326856

IUPACN'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine
SMILESC=C(CCC)NCN(C)C(=C)CCC(C)C
InChIInChI=1S/C14H28N2/c1-7-8-13(4)15-11-16(6)14(5)10-9-12(2)3/h12,15H,4-5,7-11H2,1-3,6H3
InChIKeyZSCKSVLUQRSEMD-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.73
Rot. Bonds9

About N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine

N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine (PubChem CID 146326856) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine.

Molecular Properties

Compound NameN'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine
PubChem CID146326856
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine
SMILESC=C(CCC)NCN(C)C(=C)CCC(C)C
InChIInChI=1S/C14H28N2/c1-7-8-13(4)15-11-16(6)14(5)10-9-12(2)3/h12,15H,4-5,7-11H2,1-3,6H3
InChIKeyZSCKSVLUQRSEMD-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine?
The IUPAC name of N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine (CID 146326856) is N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine.
What is the SMILES notation for N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine?
The canonical SMILES for N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine is C=C(CCC)NCN(C)C(=C)CCC(C)C.
What is the InChIKey of N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine?
The InChIKey is ZSCKSVLUQRSEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-7-8-13(4)15-11-16(6)14(5)10-9-12(2)3/h12,15H,4-5,7-11H2,1-3,6H3.
What are the key properties of N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine?
N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine has a molecular weight of 224.39 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(5-methylhex-1-en-2-yl)-N-pent-1-en-2-ylmethanediamine is sourced from PubChem (CID 146326856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).