3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine

C18H30N2 — CID 106009012

IUPAC3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCc1cc(C)c(C(C)NCCCC2CCCC2)c(C)n1
InChIInChI=1S/C18H30N2/c1-13-12-14(2)20-16(4)18(13)15(3)19-11-7-10-17-8-5-6-9-17/h12,15,17,19H,5-11H2,1-4H3
InChIKeyFYQQVDZOYHMNQQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.63
Rot. Bonds6

About 3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine

3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 106009012) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID106009012
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCc1cc(C)c(C(C)NCCCC2CCCC2)c(C)n1
InChIInChI=1S/C18H30N2/c1-13-12-14(2)20-16(4)18(13)15(3)19-11-7-10-17-8-5-6-9-17/h12,15,17,19H,5-11H2,1-4H3
InChIKeyFYQQVDZOYHMNQQ-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 113351582
5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine
CID 115516808
3-propoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 82940884
N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 83229480
3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776530
3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 43767139
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 61240883
1-cyclohexyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 62405192
3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776522
5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008779
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 63827120
3-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103917473

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine (CID 106009012) is 3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine is Cc1cc(C)c(C(C)NCCCC2CCCC2)c(C)n1.
What is the InChIKey of 3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is FYQQVDZOYHMNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13-12-14(2)20-16(4)18(13)15(3)19-11-7-10-17-8-5-6-9-17/h12,15,17,19H,5-11H2,1-4H3.
What are the key properties of 3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine?
3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 106009012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).