N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine

C17H32N2O — CID 79715292

IUPACN-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine
SMILESCCC1(C)CC(N(CC2CCNCC2)C2CC2)CCO1
InChIInChI=1S/C17H32N2O/c1-3-17(2)12-16(8-11-20-17)19(15-4-5-15)13-14-6-9-18-10-7-14/h14-16,18H,3-13H2,1-2H3
InChIKeyKFWIUFZIJIRZQN-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds5

About N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine

N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine (PubChem CID 79715292) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine
PubChem CID79715292
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine
SMILESCCC1(C)CC(N(CC2CCNCC2)C2CC2)CCO1
InChIInChI=1S/C17H32N2O/c1-3-17(2)12-16(8-11-20-17)19(15-4-5-15)13-14-6-9-18-10-7-14/h14-16,18H,3-13H2,1-2H3
InChIKeyKFWIUFZIJIRZQN-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine?
The IUPAC name of N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine (CID 79715292) is N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine.
What is the SMILES notation for N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine?
The canonical SMILES for N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine is CCC1(C)CC(N(CC2CCNCC2)C2CC2)CCO1.
What is the InChIKey of N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine?
The InChIKey is KFWIUFZIJIRZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-17(2)12-16(8-11-20-17)19(15-4-5-15)13-14-6-9-18-10-7-14/h14-16,18H,3-13H2,1-2H3.
What are the key properties of N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine?
N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine has a molecular weight of 280.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine is sourced from PubChem (CID 79715292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).