N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine

C13H30N2O — CID 62570404

IUPACN-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
SMILESCCCC(C)N(C)CCCCNCCOC
InChIInChI=1S/C13H30N2O/c1-5-8-13(2)15(3)11-7-6-9-14-10-12-16-4/h13-14H,5-12H2,1-4H3
InChIKeyNYRWDULLHBYLGE-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds11

About N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine

N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine (PubChem CID 62570404) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
PubChem CID62570404
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
SMILESCCCC(C)N(C)CCCCNCCOC
InChIInChI=1S/C13H30N2O/c1-5-8-13(2)15(3)11-7-6-9-14-10-12-16-4/h13-14H,5-12H2,1-4H3
InChIKeyNYRWDULLHBYLGE-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
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'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763
N'-methyl-N'-pentan-2-yl-N-propylpentane-1,5-diamine
CID 62432727
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62555171
3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63009569
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62266935
(4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine
CID 97035365
4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63007950
N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55087436

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine (CID 62570404) is N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine is CCCC(C)N(C)CCCCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine?
The InChIKey is NYRWDULLHBYLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-8-13(2)15(3)11-7-6-9-14-10-12-16-4/h13-14H,5-12H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 62570404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).