N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine

C13H30N2 — CID 62421110

IUPACN'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine
SMILESCCCNCCCCCN(C)CC(C)C
InChIInChI=1S/C13H30N2/c1-5-9-14-10-7-6-8-11-15(4)12-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyCYSWBUUCFSEJNJ-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds10

About N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine

N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine (PubChem CID 62421110) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine
PubChem CID62421110
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine
SMILESCCCNCCCCCN(C)CC(C)C
InChIInChI=1S/C13H30N2/c1-5-9-14-10-7-6-8-11-15(4)12-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyCYSWBUUCFSEJNJ-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
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'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine
CID 175614170
N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 62421290
N'-methyl-N'-pentan-2-yl-N-propylpentane-1,5-diamine
CID 62432727
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 61386626
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 62422222
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386623
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine?
The IUPAC name of N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine (CID 62421110) is N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine?
The canonical SMILES for N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine is CCCNCCCCCN(C)CC(C)C.
What is the InChIKey of N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine?
The InChIKey is CYSWBUUCFSEJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-9-14-10-7-6-8-11-15(4)12-13(2)3/h13-14H,5-12H2,1-4H3.
What are the key properties of N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine?
N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine is sourced from PubChem (CID 62421110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).