N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine

C15H34N2 — CID 175614170

IUPACN'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine
SMILESCCCN(C)CCCCCNCCCC(C)C
InChIInChI=1S/C15H34N2/c1-5-13-17(4)14-8-6-7-11-16-12-9-10-15(2)3/h15-16H,5-14H2,1-4H3
InChIKeyWFUWTUPWDYNJTF-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.52
Rot. Bonds12

About N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine

N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine (PubChem CID 175614170) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine
PubChem CID175614170
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine
SMILESCCCN(C)CCCCCNCCCC(C)C
InChIInChI=1S/C15H34N2/c1-5-13-17(4)14-8-6-7-11-16-12-9-10-15(2)3/h15-16H,5-14H2,1-4H3
InChIKeyWFUWTUPWDYNJTF-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.52
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'-(2-methylpropyl)-N-propylpentane-1,5-diamine
CID 62421110
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
CID 167108595
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-(4-methylpentyl)-N',N'-dipropylethane-1,2-diamine
CID 62574119
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine?
The IUPAC name of N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine (CID 175614170) is N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine?
The canonical SMILES for N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine is CCCN(C)CCCCCNCCCC(C)C.
What is the InChIKey of N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine?
The InChIKey is WFUWTUPWDYNJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-5-13-17(4)14-8-6-7-11-16-12-9-10-15(2)3/h15-16H,5-14H2,1-4H3.
What are the key properties of N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine?
N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.52, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine is sourced from PubChem (CID 175614170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).