N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine

C17H38N2 — CID 62462345

IUPACN-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
SMILESCCCCCN(CCCCCNCC(C)C)C(C)C
InChIInChI=1S/C17H38N2/c1-6-7-10-13-19(17(4)5)14-11-8-9-12-18-15-16(2)3/h16-18H,6-15H2,1-5H3
InChIKeyINSSMWVQWXLFCY-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.30
Rot. Bonds13

About N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine

N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine (PubChem CID 62462345) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
PubChem CID62462345
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC NameN-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
SMILESCCCCCN(CCCCCNCC(C)C)C(C)C
InChIInChI=1S/C17H38N2/c1-6-7-10-13-19(17(4)5)14-11-8-9-12-18-15-16(2)3/h16-18H,6-15H2,1-5H3
InChIKeyINSSMWVQWXLFCY-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.30
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

N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894
N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
CID 63527329
N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
CID 62421601
2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine
CID 19991248
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
3-N,3-N-dibutyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 55195808
N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine
CID 62423460
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine
CID 106732243
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine?
The IUPAC name of N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine (CID 62462345) is N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine.
What is the SMILES notation for N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine?
The canonical SMILES for N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine is CCCCCN(CCCCCNCC(C)C)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine?
The InChIKey is INSSMWVQWXLFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-6-7-10-13-19(17(4)5)14-11-8-9-12-18-15-16(2)3/h16-18H,6-15H2,1-5H3.
What are the key properties of N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine?
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.30, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 62462345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).