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

C10H22N2O — CID 62560137

IUPACN-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCC1CCOC1
InChIInChI=1S/C10H22N2O/c1-9(2)12-5-4-11-7-10-3-6-13-8-10/h9-12H,3-8H2,1-2H3
InChIKeyQTIVJUKDUFWYIN-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.61
Rot. Bonds6

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

N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62560137) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID62560137
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCC1CCOC1
InChIInChI=1S/C10H22N2O/c1-9(2)12-5-4-11-7-10-3-6-13-8-10/h9-12H,3-8H2,1-2H3
InChIKeyQTIVJUKDUFWYIN-UHFFFAOYSA-N
XLogP0.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine
CID 64503037
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
3-methylsulfinyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887943
3-cyclopentyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887250
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102671743
4-(oxolan-3-ylmethylamino)butanenitrile
CID 61040172
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62575446

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine (CID 62560137) is N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is QTIVJUKDUFWYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)12-5-4-11-7-10-3-6-13-8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62560137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).