N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine

C13H24N2 — CID 104806622

IUPACN-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine
SMILESCC#CCCNCC1CCN(CC)CC1
InChIInChI=1S/C13H24N2/c1-3-5-6-9-14-12-13-7-10-15(4-2)11-8-13/h13-14H,4,6-12H2,1-2H3
InChIKeyJSQYBNQSNSLJON-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.72
Rot. Bonds5

About N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine

N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine (PubChem CID 104806622) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine
PubChem CID104806622
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine
SMILESCC#CCCNCC1CCN(CC)CC1
InChIInChI=1S/C13H24N2/c1-3-5-6-9-14-12-13-7-10-15(4-2)11-8-13/h13-14H,4,6-12H2,1-2H3
InChIKeyJSQYBNQSNSLJON-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
1-Methylpiperidine-4-methylamine
CID 81574
3-(4-Methylpiperidin-1-yl)propan-1-amine
CID 3149264
4-(2-Diethylaminoethyl)piperidine
CID 296294
Dimethyl(2-(piperidin-4-yl)ethyl)amine
CID 1415681
2-(1-Methylpiperidin-3-yl)ethan-1-amine
CID 12253960
Dimethyl(2-(piperidin-3-yl)ethyl)amine
CID 21186415
2-(1-Ethylpiperidin-4-yl)ethan-1-amine
CID 21643902
[1-(3-Methylbutyl)piperidin-4-yl]methanamine
CID 24274890
(1-Isopropylpiperidin-4-yl)methanamine
CID 7258859
N-(piperidin-4-ylmethyl)pentan-1-amine
CID 44592949
(1-(2-(Dimethylamino)ethyl)piperidin-4-yl)methanamine
CID 28397654

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine (CID 104806622) is N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine is CC#CCCNCC1CCN(CC)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine?
The InChIKey is JSQYBNQSNSLJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-6-9-14-12-13-7-10-15(4-2)11-8-13/h13-14H,4,6-12H2,1-2H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine?
N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine has a molecular weight of 208.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine is sourced from PubChem (CID 104806622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).