N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

C11H24N2O — CID 54806845

IUPACN-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCCCNCCNCC1CCCO1
InChIInChI=1S/C11H24N2O/c1-2-3-6-12-7-8-13-10-11-5-4-9-14-11/h11-13H,2-10H2,1H3
InChIKeyKVKVQCWEJDWMPY-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.14
Rot. Bonds8

About N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 54806845) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID54806845
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCCCNCCNCC1CCCO1
InChIInChI=1S/C11H24N2O/c1-2-3-6-12-7-8-13-10-11-5-4-9-14-11/h11-13H,2-10H2,1H3
InChIKeyKVKVQCWEJDWMPY-UHFFFAOYSA-N
XLogP1.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.14
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

3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62575237
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
CID 104856051
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 54806845) is N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is CCCCNCCNCC1CCCO1.
What is the InChIKey of N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is KVKVQCWEJDWMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-3-6-12-7-8-13-10-11-5-4-9-14-11/h11-13H,2-10H2,1H3.
What are the key properties of N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54806845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).