1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine

C17H36N2 — CID 130335401

IUPAC1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine
SMILESC=C(CCCCN(C)C(C)C)NCCCCC(C)C
InChIInChI=1S/C17H36N2/c1-15(2)11-7-9-13-18-17(5)12-8-10-14-19(6)16(3)4/h15-16,18H,5,7-14H2,1-4,6H3
InChIKeyFWZONTIUCXBFEM-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.43
Rot. Bonds12

About 1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine

1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine (PubChem CID 130335401) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine.

Molecular Properties

Compound Name1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine
PubChem CID130335401
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine
SMILESC=C(CCCCN(C)C(C)C)NCCCCC(C)C
InChIInChI=1S/C17H36N2/c1-15(2)11-7-9-13-18-17(5)12-8-10-14-19(6)16(3)4/h15-16,18H,5,7-14H2,1-4,6H3
InChIKeyFWZONTIUCXBFEM-UHFFFAOYSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine?
The IUPAC name of 1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine (CID 130335401) is 1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine.
What is the SMILES notation for 1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine?
The canonical SMILES for 1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine is C=C(CCCCN(C)C(C)C)NCCCCC(C)C.
What is the InChIKey of 1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine?
The InChIKey is FWZONTIUCXBFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-15(2)11-7-9-13-18-17(5)12-8-10-14-19(6)16(3)4/h15-16,18H,5,7-14H2,1-4,6H3.
What are the key properties of 1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine?
1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.43, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine is sourced from PubChem (CID 130335401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).