2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine

C13H25NO — CID 102672744

IUPAC2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine
SMILESCC(C)(C)CCNC1CCOC1C1CC1
InChIInChI=1S/C13H25NO/c1-13(2,3)7-8-14-11-6-9-15-12(11)10-4-5-10/h10-12,14H,4-9H2,1-3H3
InChIKeyHPVUZTWTPCHRPV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds4

About 2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine

2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine (PubChem CID 102672744) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine
PubChem CID102672744
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine
SMILESCC(C)(C)CCNC1CCOC1C1CC1
InChIInChI=1S/C13H25NO/c1-13(2,3)7-8-14-11-6-9-15-12(11)10-4-5-10/h10-12,14H,4-9H2,1-3H3
InChIKeyHPVUZTWTPCHRPV-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine (CID 102672744) is 2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine is CC(C)(C)CCNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine?
The InChIKey is HPVUZTWTPCHRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)7-8-14-11-6-9-15-12(11)10-4-5-10/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine?
2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine is sourced from PubChem (CID 102672744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).