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

C12H28N2 — CID 59420439

IUPACN'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)CCCNCCN(C)C(C)C
InChIInChI=1S/C12H28N2/c1-11(2)7-6-8-13-9-10-14(5)12(3)4/h11-13H,6-10H2,1-5H3
InChIKeyHMBMBXPZVRXQII-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds8

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

N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 59420439) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID59420439
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)CCCNCCN(C)C(C)C
InChIInChI=1S/C12H28N2/c1-11(2)7-6-8-13-9-10-14(5)12(3)4/h11-13H,6-10H2,1-5H3
InChIKeyHMBMBXPZVRXQII-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 172512750
N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 55088829
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
CID 159368359
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
N-(4-methylpentyl)-N',N'-dipropylethane-1,2-diamine
CID 62574119
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
CID 167108595
N-(2-iodoethyl)-4-methylpentan-1-amine
CID 114505662
N'-methyl-N-(4-methylpentyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666034
methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate
CID 62640130

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine (CID 59420439) is N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)CCCNCCN(C)C(C)C.
What is the InChIKey of N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is HMBMBXPZVRXQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(2)7-6-8-13-9-10-14(5)12(3)4/h11-13H,6-10H2,1-5H3.
What are the key properties of N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 8 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'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 59420439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).