(2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine

C14H27NO — CID 99825920

IUPAC(2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine
SMILESCC(C)(C)CCN[C@@H]1CCO[C@H](C2CC2)C1
InChIInChI=1S/C14H27NO/c1-14(2,3)7-8-15-12-6-9-16-13(10-12)11-4-5-11/h11-13,15H,4-10H2,1-3H3/t12-,13+/m1/s1
InChIKeyZNGAHZONPSMLSS-OLZOCXBDSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds4

About (2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine

(2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine (PubChem CID 99825920) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine.

Molecular Properties

Compound Name(2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine
PubChem CID99825920
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine
SMILESCC(C)(C)CCN[C@@H]1CCO[C@H](C2CC2)C1
InChIInChI=1S/C14H27NO/c1-14(2,3)7-8-15-12-6-9-16-13(10-12)11-4-5-11/h11-13,15H,4-10H2,1-3H3/t12-,13+/m1/s1
InChIKeyZNGAHZONPSMLSS-OLZOCXBDSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine?
The IUPAC name of (2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine (CID 99825920) is (2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine.
What is the SMILES notation for (2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine?
The canonical SMILES for (2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine is CC(C)(C)CCN[C@@H]1CCO[C@H](C2CC2)C1.
What is the InChIKey of (2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine?
The InChIKey is ZNGAHZONPSMLSS-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2,3)7-8-15-12-6-9-16-13(10-12)11-4-5-11/h11-13,15H,4-10H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine?
(2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine is sourced from PubChem (CID 99825920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).