3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine

C11H21NO — CID 102551342

IUPAC3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESC(CNCC1CCCO1)CC1CC1
InChIInChI=1S/C11H21NO/c1(3-10-5-6-10)7-12-9-11-4-2-8-13-11/h10-12H,1-9H2
InChIKeyYWXLUZARRNNMIV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds6

About 3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine

3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 102551342) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID102551342
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESC(CNCC1CCCO1)CC1CC1
InChIInChI=1S/C11H21NO/c1(3-10-5-6-10)7-12-9-11-4-2-8-13-11/h10-12H,1-9H2
InChIKeyYWXLUZARRNNMIV-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345
3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985486
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
CID 104856051
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 116679543
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 106206326
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine (CID 102551342) is 3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine is C(CNCC1CCCO1)CC1CC1.
What is the InChIKey of 3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is YWXLUZARRNNMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1(3-10-5-6-10)7-12-9-11-4-2-8-13-11/h10-12H,1-9H2.
What are the key properties of 3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine?
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 102551342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).