N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine

C16H34N2O — CID 62580582

IUPACN-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1CCOCCC(C)C
InChIInChI=1S/C16H34N2O/c1-4-9-17-14-16-7-5-6-10-18(16)11-13-19-12-8-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyQKLLWXRGWOLTPX-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds10

About N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine

N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine (PubChem CID 62580582) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine
PubChem CID62580582
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1CCOCCC(C)C
InChIInChI=1S/C16H34N2O/c1-4-9-17-14-16-7-5-6-10-18(16)11-13-19-12-8-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyQKLLWXRGWOLTPX-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
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

2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581454
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol
CID 61355562
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013980
N-[[1-(2-ethoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581842
N-[[1-(2-propoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 106453472
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
2-methyl-4-[2-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79355208

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine (CID 62580582) is N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1CCOCCC(C)C.
What is the InChIKey of N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is QKLLWXRGWOLTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-9-17-14-16-7-5-6-10-18(16)11-13-19-12-8-15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine?
N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62580582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).