N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine

C9H19NO — CID 170286838

IUPACN-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine
SMILESCC[C@@H](C)NC1OC1C(C)C
InChIInChI=1S/C9H19NO/c1-5-7(4)10-9-8(11-9)6(2)3/h6-10H,5H2,1-4H3/t7-,8?,9?/m1/s1
InChIKeySVNBFTAFDHRTOW-AFPNSQJFSA-N
MW157.26 g/mol
LogP1.76
Rot. Bonds4

About N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine

N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine (PubChem CID 170286838) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine
PubChem CID170286838
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine
SMILESCC[C@@H](C)NC1OC1C(C)C
InChIInChI=1S/C9H19NO/c1-5-7(4)10-9-8(11-9)6(2)3/h6-10H,5H2,1-4H3/t7-,8?,9?/m1/s1
InChIKeySVNBFTAFDHRTOW-AFPNSQJFSA-N
XLogP1.76
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine (CID 170286838) is N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine is CC[C@@H](C)NC1OC1C(C)C.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine?
The InChIKey is SVNBFTAFDHRTOW-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7(4)10-9-8(11-9)6(2)3/h6-10H,5H2,1-4H3/t7-,8?,9?/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine?
N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-propan-2-yloxiran-2-amine is sourced from PubChem (CID 170286838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).