N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine

C12H28N2 — CID 167108595

IUPACN'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
SMILESCCN(C)CCCNCCCC(C)C
InChIInChI=1S/C12H28N2/c1-5-14(4)11-7-10-13-9-6-8-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyUOJBBMYCMHMGNQ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds9

About N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine

N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine (PubChem CID 167108595) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
PubChem CID167108595
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
SMILESCCN(C)CCCNCCCC(C)C
InChIInChI=1S/C12H28N2/c1-5-14(4)11-7-10-13-9-6-8-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyUOJBBMYCMHMGNQ-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.35
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'-propylpentane-1,5-diamine
CID 175614170
N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386623
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
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'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
N-(4-methylpentyl)-N',N'-dipropylethane-1,2-diamine
CID 62574119
N-(2-iodoethyl)-4-methylpentan-1-amine
CID 114505662
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine
CID 164906899
N'-methyl-N-(4-methylpentyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666034
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine (CID 167108595) is N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine is CCN(C)CCCNCCCC(C)C.
What is the InChIKey of N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine?
The InChIKey is UOJBBMYCMHMGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-14(4)11-7-10-13-9-6-8-12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine?
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine is sourced from PubChem (CID 167108595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).