N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine

C15H34N2O — CID 81068386

IUPACN'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine
SMILESCC(C)NCCCCCCN(C)CCOC(C)C
InChIInChI=1S/C15H34N2O/c1-14(2)16-10-8-6-7-9-11-17(5)12-13-18-15(3)4/h14-16H,6-13H2,1-5H3
InChIKeyCFWOUCXJFJMCMI-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.90
Rot. Bonds12

About N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine

N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine (PubChem CID 81068386) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine
PubChem CID81068386
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC NameN'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine
SMILESCC(C)NCCCCCCN(C)CCOC(C)C
InChIInChI=1S/C15H34N2O/c1-14(2)16-10-8-6-7-9-11-17(5)12-13-18-15(3)4/h14-16H,6-13H2,1-5H3
InChIKeyCFWOUCXJFJMCMI-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62448411
N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81068895
N-methyl-4-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)butane-1-sulfonamide
CID 81067991
N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81055191
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 63694492
N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine
CID 171725800
N-(dicyclopropylmethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067423
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine
CID 157036014
N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412553
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine?
The IUPAC name of N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine (CID 81068386) is N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine.
What is the SMILES notation for N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine?
The canonical SMILES for N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine is CC(C)NCCCCCCN(C)CCOC(C)C.
What is the InChIKey of N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine?
The InChIKey is CFWOUCXJFJMCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-14(2)16-10-8-6-7-9-11-17(5)12-13-18-15(3)4/h14-16H,6-13H2,1-5H3.
What are the key properties of N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine?
N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine has a molecular weight of 258.45 g/mol, XLogP of 2.90, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine is sourced from PubChem (CID 81068386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).