N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine

C14H30N2 — CID 166678487

IUPACN'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine
SMILESC=C(C(C)C)N(C)CCCCCNCCC
InChIInChI=1S/C14H30N2/c1-6-10-15-11-8-7-9-12-16(5)14(4)13(2)3/h13,15H,4,6-12H2,1-3,5H3
InChIKeyYUSJOJJLNRUWHF-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.26
Rot. Bonds10

About N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine

N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine (PubChem CID 166678487) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine
PubChem CID166678487
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine
SMILESC=C(C(C)C)N(C)CCCCCNCCC
InChIInChI=1S/C14H30N2/c1-6-10-15-11-8-7-9-12-16(5)14(4)13(2)3/h13,15H,4,6-12H2,1-3,5H3
InChIKeyYUSJOJJLNRUWHF-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.26
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 N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine?
The IUPAC name of N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine (CID 166678487) is N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine is C=C(C(C)C)N(C)CCCCCNCCC.
What is the InChIKey of N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine?
The InChIKey is YUSJOJJLNRUWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-10-15-11-8-7-9-12-16(5)14(4)13(2)3/h13,15H,4,6-12H2,1-3,5H3.
What are the key properties of N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine?
N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine is sourced from PubChem (CID 166678487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).