N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine

C14H26N2 — CID 103903615

IUPACN-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine
SMILESC#CCCCCNC(C)C1CCCN(C)C1
InChIInChI=1S/C14H26N2/c1-4-5-6-7-10-15-13(2)14-9-8-11-16(3)12-14/h1,13-15H,5-12H2,2-3H3
InChIKeyXEGOGEGEYDUJIT-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds6

About N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine

N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine (PubChem CID 103903615) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine
PubChem CID103903615
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine
SMILESC#CCCCCNC(C)C1CCCN(C)C1
InChIInChI=1S/C14H26N2/c1-4-5-6-7-10-15-13(2)14-9-8-11-16(3)12-14/h1,13-15H,5-12H2,2-3H3
InChIKeyXEGOGEGEYDUJIT-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.11
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

N-(1-cyclopentylethyl)hex-5-yn-1-amine
CID 115893745
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide
CID 103776667
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
N-hex-5-ynyl-1-methylazepan-4-amine
CID 103903669
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 103902104
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide
CID 106334875
1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917113

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine?
The IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine (CID 103903615) is N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine is C#CCCCCNC(C)C1CCCN(C)C1.
What is the InChIKey of N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine?
The InChIKey is XEGOGEGEYDUJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-5-6-7-10-15-13(2)14-9-8-11-16(3)12-14/h1,13-15H,5-12H2,2-3H3.
What are the key properties of N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine?
N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine is sourced from PubChem (CID 103903615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).