2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine

C14H32N2 — CID 83054356

IUPAC2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine
SMILESCCCCCN(C)C(CCC)CNC(C)C
InChIInChI=1S/C14H32N2/c1-6-8-9-11-16(5)14(10-7-2)12-15-13(3)4/h13-15H,6-12H2,1-5H3
InChIKeyQTOJFXUDUAJHBD-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.28
Rot. Bonds10

About 2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine

2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine (PubChem CID 83054356) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine
PubChem CID83054356
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine
SMILESCCCCCN(C)C(CCC)CNC(C)C
InChIInChI=1S/C14H32N2/c1-6-8-9-11-16(5)14(10-7-2)12-15-13(3)4/h13-15H,6-12H2,1-5H3
InChIKeyQTOJFXUDUAJHBD-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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-methyl-1-N-pentan-2-yl-2-N-pentylpropane-1,2-diamine
CID 62569522
1-N-tert-butyl-2-N-butyl-2-N-methylpentane-1,2-diamine
CID 83042715
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054328
N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
CID 60850483
N-propan-2-yl-2-propylheptan-1-amine
CID 62529127
4-[heptan-4-yl(methyl)amino]butan-1-ol
CID 88539723
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 43294743
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
2-N-cyclohexyl-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83043219
2-N-cyclopropyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 83043131
N-butyl-N-methylnonan-5-amine
CID 175231488

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine (CID 83054356) is 2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine is CCCCCN(C)C(CCC)CNC(C)C.
What is the InChIKey of 2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine?
The InChIKey is QTOJFXUDUAJHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-8-9-11-16(5)14(10-7-2)12-15-13(3)4/h13-15H,6-12H2,1-5H3.
What are the key properties of 2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine?
2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine is sourced from PubChem (CID 83054356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).