4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine

C17H37N3 — CID 79483196

IUPAC4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine
SMILESCCC(CC)N(CC(C)C)C1(CN)CCN(CC)CC1
InChIInChI=1S/C17H37N3/c1-6-16(7-2)20(13-15(4)5)17(14-18)9-11-19(8-3)12-10-17/h15-16H,6-14,18H2,1-5H3
InChIKeyFIOXWNCANFJBAT-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.95
Rot. Bonds8

About 4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine

4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine (PubChem CID 79483196) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine
PubChem CID79483196
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine
SMILESCCC(CC)N(CC(C)C)C1(CN)CCN(CC)CC1
InChIInChI=1S/C17H37N3/c1-6-16(7-2)20(13-15(4)5)17(14-18)9-11-19(8-3)12-10-17/h15-16H,6-14,18H2,1-5H3
InChIKeyFIOXWNCANFJBAT-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine (CID 79483196) is 4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine is CCC(CC)N(CC(C)C)C1(CN)CCN(CC)CC1.
What is the InChIKey of 4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine?
The InChIKey is FIOXWNCANFJBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-16(7-2)20(13-15(4)5)17(14-18)9-11-19(8-3)12-10-17/h15-16H,6-14,18H2,1-5H3.
What are the key properties of 4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine?
4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine has a molecular weight of 283.50 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine is sourced from PubChem (CID 79483196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).