N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine

C15H30N2O — CID 91916173

IUPACN-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine
SMILESCC(C)CCN(C1CCNCC1)C1CCOCC1
InChIInChI=1S/C15H30N2O/c1-13(2)5-10-17(14-3-8-16-9-4-14)15-6-11-18-12-7-15/h13-16H,3-12H2,1-2H3
InChIKeyPYRBXJWCKOCZDS-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine

N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 91916173) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine
PubChem CID91916173
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine
SMILESCC(C)CCN(C1CCNCC1)C1CCOCC1
InChIInChI=1S/C15H30N2O/c1-13(2)5-10-17(14-3-8-16-9-4-14)15-6-11-18-12-7-15/h13-16H,3-12H2,1-2H3
InChIKeyPYRBXJWCKOCZDS-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine (CID 91916173) is N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine is CC(C)CCN(C1CCNCC1)C1CCOCC1.
What is the InChIKey of N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is PYRBXJWCKOCZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)5-10-17(14-3-8-16-9-4-14)15-6-11-18-12-7-15/h13-16H,3-12H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine?
N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 91916173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).