N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine

C13H28N2O — CID 62555308

IUPACN'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine
SMILESCCCCCNCCN(C)CC1CCCO1
InChIInChI=1S/C13H28N2O/c1-3-4-5-8-14-9-10-15(2)12-13-7-6-11-16-13/h13-14H,3-12H2,1-2H3
InChIKeyVEYYPJCXRWMHQO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds9

About N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine

N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine (PubChem CID 62555308) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine
PubChem CID62555308
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine
SMILESCCCCCNCCN(C)CC1CCCO1
InChIInChI=1S/C13H28N2O/c1-3-4-5-8-14-9-10-15(2)12-13-7-6-11-16-13/h13-14H,3-12H2,1-2H3
InChIKeyVEYYPJCXRWMHQO-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535
N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62555468
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N'-methyl-N-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 62561860
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751
N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 62429589
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine (CID 62555308) is N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine is CCCCCNCCN(C)CC1CCCO1.
What is the InChIKey of N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine?
The InChIKey is VEYYPJCXRWMHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-4-5-8-14-9-10-15(2)12-13-7-6-11-16-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine?
N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine is sourced from PubChem (CID 62555308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).