N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine

C17H34N2 — CID 79828781

IUPACN,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine
SMILESCCCC1CCN(C2CCCC(C)(C)C2NC)CC1
InChIInChI=1S/C17H34N2/c1-5-7-14-9-12-19(13-10-14)15-8-6-11-17(2,3)16(15)18-4/h14-16,18H,5-13H2,1-4H3
InChIKeyYGHCHBYNQPNJNS-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds4

About N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine

N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine (PubChem CID 79828781) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine
PubChem CID79828781
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine
SMILESCCCC1CCN(C2CCCC(C)(C)C2NC)CC1
InChIInChI=1S/C17H34N2/c1-5-7-14-9-12-19(13-10-14)15-8-6-11-17(2,3)16(15)18-4/h14-16,18H,5-13H2,1-4H3
InChIKeyYGHCHBYNQPNJNS-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine?
The IUPAC name of N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine (CID 79828781) is N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine is CCCC1CCN(C2CCCC(C)(C)C2NC)CC1.
What is the InChIKey of N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine?
The InChIKey is YGHCHBYNQPNJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-7-14-9-12-19(13-10-14)15-8-6-11-17(2,3)16(15)18-4/h14-16,18H,5-13H2,1-4H3.
What are the key properties of N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine?
N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 79828781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).