N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine

C14H30N2O2 — CID 62555468

IUPACN'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
SMILESCC(C)OCCCNCCN(C)CC1CCCO1
InChIInChI=1S/C14H30N2O2/c1-13(2)17-11-5-7-15-8-9-16(3)12-14-6-4-10-18-14/h13-15H,4-12H2,1-3H3
InChIKeyNYVQNPHBFJOEKI-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.50
Rot. Bonds10

About N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine

N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine (PubChem CID 62555468) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
PubChem CID62555468
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
SMILESCC(C)OCCCNCCN(C)CC1CCCO1
InChIInChI=1S/C14H30N2O2/c1-13(2)17-11-5-7-15-8-9-16(3)12-14-6-4-10-18-14/h13-15H,4-12H2,1-3H3
InChIKeyNYVQNPHBFJOEKI-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine
CID 62555308
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,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 65163903
N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 62429589
N-(1-cyclopropylethyl)-N'-methyl-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62554352
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'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62557410
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine (CID 62555468) is N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine is CC(C)OCCCNCCN(C)CC1CCCO1.
What is the InChIKey of N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The InChIKey is NYVQNPHBFJOEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-13(2)17-11-5-7-15-8-9-16(3)12-14-6-4-10-18-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 62555468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).