N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine

C15H34N2 — CID 55088829

IUPACN-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)CCCNCCN(CC(C)C)C(C)C
InChIInChI=1S/C15H34N2/c1-13(2)8-7-9-16-10-11-17(15(5)6)12-14(3)4/h13-16H,7-12H2,1-6H3
InChIKeyHQCDUTPUJVQZPO-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.38
Rot. Bonds10

About N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine

N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 55088829) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID55088829
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)CCCNCCN(CC(C)C)C(C)C
InChIInChI=1S/C15H34N2/c1-13(2)8-7-9-16-10-11-17(15(5)6)12-14(3)4/h13-16H,7-12H2,1-6H3
InChIKeyHQCDUTPUJVQZPO-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.38
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-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 62559989
N-(4-methylpentyl)-N',N'-dipropylethane-1,2-diamine
CID 62574119
N-(2-iodoethyl)-4-methylpentan-1-amine
CID 114505662
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 123350796
N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine
CID 176601082
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
CID 167108595
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-(2-fluoroethyl)-4-methylpentan-1-amine
CID 80695827
N'-methyl-N-(4-methylpentyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666034

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine (CID 55088829) is N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)CCCNCCN(CC(C)C)C(C)C.
What is the InChIKey of N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is HQCDUTPUJVQZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-13(2)8-7-9-16-10-11-17(15(5)6)12-14(3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine?
N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55088829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).