4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine

C19H40N2O — CID 139441485

IUPAC4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine
SMILESCC(CC(C)(C)C1CCN(C(C)C)CC1)NCCOC(C)C
InChIInChI=1S/C19H40N2O/c1-15(2)21-11-8-18(9-12-21)19(6,7)14-17(5)20-10-13-22-16(3)4/h15-18,20H,8-14H2,1-7H3
InChIKeyPHLKZSPIYFJYHA-UHFFFAOYSA-N
MW312.54 g/mol
LogP3.93
Rot. Bonds9

About 4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine

4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine (PubChem CID 139441485) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is 4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine
PubChem CID139441485
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine
SMILESCC(CC(C)(C)C1CCN(C(C)C)CC1)NCCOC(C)C
InChIInChI=1S/C19H40N2O/c1-15(2)21-11-8-18(9-12-21)19(6,7)14-17(5)20-10-13-22-16(3)4/h15-18,20H,8-14H2,1-7H3
InChIKeyPHLKZSPIYFJYHA-UHFFFAOYSA-N
XLogP3.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine (CID 139441485) is 4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine is CC(CC(C)(C)C1CCN(C(C)C)CC1)NCCOC(C)C.
What is the InChIKey of 4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine?
The InChIKey is PHLKZSPIYFJYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O/c1-15(2)21-11-8-18(9-12-21)19(6,7)14-17(5)20-10-13-22-16(3)4/h15-18,20H,8-14H2,1-7H3.
What are the key properties of 4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine?
4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine has a molecular weight of 312.54 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-propan-2-yloxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)pentan-2-amine is sourced from PubChem (CID 139441485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).