2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine

C14H32N2 — CID 62569145

IUPAC2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine
SMILESCCCCCN(C)C(C)CNC(C)(C)CC
InChIInChI=1S/C14H32N2/c1-7-9-10-11-16(6)13(3)12-15-14(4,5)8-2/h13,15H,7-12H2,1-6H3
InChIKeyLEBMWYPZODGQSJ-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.28
Rot. Bonds9

About 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine

2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine (PubChem CID 62569145) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine
PubChem CID62569145
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine
SMILESCCCCCN(C)C(C)CNC(C)(C)CC
InChIInChI=1S/C14H32N2/c1-7-9-10-11-16(6)13(3)12-15-14(4,5)8-2/h13,15H,7-12H2,1-6H3
InChIKeyLEBMWYPZODGQSJ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.28
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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Related Compounds

2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62558337
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine
CID 62568783
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112666053
N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62554689
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62568252
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
2-N-methyl-1-N-pentan-2-yl-2-N-pentylpropane-1,2-diamine
CID 62569522
2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568971
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N-(1-bromopropan-2-yl)-N-methylheptan-1-amine
CID 104554827
N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine
CID 104554825

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine (CID 62569145) is 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine is CCCCCN(C)C(C)CNC(C)(C)CC.
What is the InChIKey of 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine?
The InChIKey is LEBMWYPZODGQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-9-10-11-16(6)13(3)12-15-14(4,5)8-2/h13,15H,7-12H2,1-6H3.
What are the key properties of 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine?
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine is sourced from PubChem (CID 62569145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).