N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine

C16H34N2O — CID 79490780

IUPACN'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCNCC1CCOC1)CC(C)C
InChIInChI=1S/C16H34N2O/c1-5-16(6-2)18(12-14(3)4)9-8-17-11-15-7-10-19-13-15/h14-17H,5-13H2,1-4H3
InChIKeyUMTRFISQQUDBJB-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds10

About N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine

N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 79490780) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine
PubChem CID79490780
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCNCC1CCOC1)CC(C)C
InChIInChI=1S/C16H34N2O/c1-5-16(6-2)18(12-14(3)4)9-8-17-11-15-7-10-19-13-15/h14-17H,5-13H2,1-4H3
InChIKeyUMTRFISQQUDBJB-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
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'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62575446
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
N'-butan-2-yl-N'-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 115685568
2-methyl-N-(oxolan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 21034317
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
N'-ethyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553668
3-ethylsulfonyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65092724
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
N'-(2-methoxyethyl)-N'-methyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62557389
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine (CID 79490780) is N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCNCC1CCOC1)CC(C)C.
What is the InChIKey of N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is UMTRFISQQUDBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-16(6-2)18(12-14(3)4)9-8-17-11-15-7-10-19-13-15/h14-17H,5-13H2,1-4H3.
What are the key properties of N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine?
N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 79490780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).