N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine

C15H30N2O — CID 106453510

IUPACN-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine
SMILESCC(C)COCCN1CCC(CNC2CC2)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)12-18-10-9-17-7-5-14(6-8-17)11-16-15-3-4-15/h13-16H,3-12H2,1-2H3
InChIKeyCTDXNNLDRRETPG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds8

About N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine

N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine (PubChem CID 106453510) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine
PubChem CID106453510
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine
SMILESCC(C)COCCN1CCC(CNC2CC2)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)12-18-10-9-17-7-5-14(6-8-17)11-16-15-3-4-15/h13-16H,3-12H2,1-2H3
InChIKeyCTDXNNLDRRETPG-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-Methoxyethyl)piperidin-4-yl]methanamine
CID 28063523
3-Ethyl-2-(morpholin-4-yl)pentan-1-amine
CID 16228000
4-(Piperidin-4-ylmethyl)morpholine
CID 12802906
2-[2-(2-ethoxyethoxy)ethoxy]-N-(piperidin-4-ylmethyl)ethanamine
CID 44592951
N-{[1-(2-Methoxyethyl)pyrrolidin-3-YL]methyl}-N-methylpiperidin-4-amine
CID 56700791
2-[4-[(2-Ethoxyethylamino)methyl]piperidin-1-yl]ethanol
CID 72141115
4-(2-Piperidin-4-ylethyl)morpholine
CID 270741
(2-Methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine
CID 62212503
Rac-(1r,3r)-3-[(morpholin-4-yl)methyl]cyclobutan-1-amine
CID 117568292
(2S,3S)-3-methyl-1-morpholin-4-ylpentan-2-amine
CID 28406548
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61790093
N-[(1-methylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61791035

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine (CID 106453510) is N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine is CC(C)COCCN1CCC(CNC2CC2)CC1.
What is the InChIKey of N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is CTDXNNLDRRETPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)12-18-10-9-17-7-5-14(6-8-17)11-16-15-3-4-15/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine?
N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106453510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).