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

C16H26N2 — CID 113351582

IUPAC3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCc1cc(C)c(C(C)NCCCC2CC2)c(C)n1
InChIInChI=1S/C16H26N2/c1-11-10-12(2)18-14(4)16(11)13(3)17-9-5-6-15-7-8-15/h10,13,15,17H,5-9H2,1-4H3
InChIKeyNYUWJMJAGAKTEA-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.85
Rot. Bonds6

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

3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 113351582) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID113351582
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCc1cc(C)c(C(C)NCCCC2CC2)c(C)n1
InChIInChI=1S/C16H26N2/c1-11-10-12(2)18-14(4)16(11)13(3)17-9-5-6-15-7-8-15/h10,13,15,17H,5-9H2,1-4H3
InChIKeyNYUWJMJAGAKTEA-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.85
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-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 106009012
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
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
3-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103917473
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 63827120
tert-butyl N-cyclopropyl-N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 113351531
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 103917430
N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 103917504
4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol
CID 107151568
N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 83229480

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine (CID 113351582) is 3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine is Cc1cc(C)c(C(C)NCCCC2CC2)c(C)n1.
What is the InChIKey of 3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is NYUWJMJAGAKTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-10-12(2)18-14(4)16(11)13(3)17-9-5-6-15-7-8-15/h10,13,15,17H,5-9H2,1-4H3.
What are the key properties of 3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine?
3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 113351582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).