N'-methyl-N'-pentan-2-ylhexane-1,6-diamine

C12H28N2 — CID 43572239

IUPACN'-methyl-N'-pentan-2-ylhexane-1,6-diamine
SMILESCCCC(C)N(C)CCCCCCN
InChIInChI=1S/C12H28N2/c1-4-9-12(2)14(3)11-8-6-5-7-10-13/h12H,4-11,13H2,1-3H3
InChIKeyARNOPKWLEAYMJA-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.63
Rot. Bonds9

About N'-methyl-N'-pentan-2-ylhexane-1,6-diamine

N'-methyl-N'-pentan-2-ylhexane-1,6-diamine (PubChem CID 43572239) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-methyl-N'-pentan-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-methyl-N'-pentan-2-ylhexane-1,6-diamine
PubChem CID43572239
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-methyl-N'-pentan-2-ylhexane-1,6-diamine
SMILESCCCC(C)N(C)CCCCCCN
InChIInChI=1S/C12H28N2/c1-4-9-12(2)14(3)11-8-6-5-7-10-13/h12H,4-11,13H2,1-3H3
InChIKeyARNOPKWLEAYMJA-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 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 ≤ 52.63
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'-pentan-2-ylpropane-1,3-diamine
CID 43571779
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
N'-methyl-N'-pentan-2-yl-N-propylpentane-1,5-diamine
CID 62432727
N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine
CID 43570225
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine
CID 65254460
4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
CID 62462204
N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine
CID 88621765
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
N-(2-bromoethyl)-N-methylpentan-2-amine
CID 61287340
N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine
CID 80544220

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-pentan-2-ylhexane-1,6-diamine?
The IUPAC name of N'-methyl-N'-pentan-2-ylhexane-1,6-diamine (CID 43572239) is N'-methyl-N'-pentan-2-ylhexane-1,6-diamine.
What is the SMILES notation for N'-methyl-N'-pentan-2-ylhexane-1,6-diamine?
The canonical SMILES for N'-methyl-N'-pentan-2-ylhexane-1,6-diamine is CCCC(C)N(C)CCCCCCN.
What is the InChIKey of N'-methyl-N'-pentan-2-ylhexane-1,6-diamine?
The InChIKey is ARNOPKWLEAYMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-4-9-12(2)14(3)11-8-6-5-7-10-13/h12H,4-11,13H2,1-3H3.
What are the key properties of N'-methyl-N'-pentan-2-ylhexane-1,6-diamine?
N'-methyl-N'-pentan-2-ylhexane-1,6-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-pentan-2-ylhexane-1,6-diamine is sourced from PubChem (CID 43572239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).