[4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine

C14H30N2O — CID 63841522

IUPAC[4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine
SMILESCC(C)CCOCCN1CCC(C)CC1CN
InChIInChI=1S/C14H30N2O/c1-12(2)5-8-17-9-7-16-6-4-13(3)10-14(16)11-15/h12-14H,4-11,15H2,1-3H3
InChIKeyPKLIUICBXOBXRA-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds7

About [4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine

[4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine (PubChem CID 63841522) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is [4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine
PubChem CID63841522
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name[4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine
SMILESCC(C)CCOCCN1CCC(C)CC1CN
InChIInChI=1S/C14H30N2O/c1-12(2)5-8-17-9-7-16-6-4-13(3)10-14(16)11-15/h12-14H,4-11,15H2,1-3H3
InChIKeyPKLIUICBXOBXRA-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
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

[4-methyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83158891
(1-butyl-4-methylpiperidin-2-yl)methanamine
CID 63839555
[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine
CID 63841352
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
CID 63840214
[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013980
[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol
CID 61355562
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
CID 103442151
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581454
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one
CID 103440808
[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
CID 103441948
[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 65446764
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine (CID 63841522) is [4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine is CC(C)CCOCCN1CCC(C)CC1CN.
What is the InChIKey of [4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine?
The InChIKey is PKLIUICBXOBXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)5-8-17-9-7-16-6-4-13(3)10-14(16)11-15/h12-14H,4-11,15H2,1-3H3.
What are the key properties of [4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine?
[4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 63841522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).