1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine

C16H34N2 — CID 63468229

IUPAC1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CN1CCC(C)(CC)CC1
InChIInChI=1S/C16H34N2/c1-5-8-15(17-11-6-2)14-18-12-9-16(4,7-3)10-13-18/h15,17H,5-14H2,1-4H3
InChIKeyNHKNBMQRIOVPAM-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About 1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine

1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine (PubChem CID 63468229) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine
PubChem CID63468229
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CN1CCC(C)(CC)CC1
InChIInChI=1S/C16H34N2/c1-5-8-15(17-11-6-2)14-18-12-9-16(4,7-3)10-13-18/h15,17H,5-14H2,1-4H3
InChIKeyNHKNBMQRIOVPAM-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine?
The IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine (CID 63468229) is 1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine is CCCNC(CCC)CN1CCC(C)(CC)CC1.
What is the InChIKey of 1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine?
The InChIKey is NHKNBMQRIOVPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-8-15(17-11-6-2)14-18-12-9-16(4,7-3)10-13-18/h15,17H,5-14H2,1-4H3.
What are the key properties of 1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine?
1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 63468229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).