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

C16H30N2 — CID 113477136

IUPACN-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine
SMILESC#CCC(CC)NC(C)C1CCCN(CCC)C1
InChIInChI=1S/C16H30N2/c1-5-9-16(7-3)17-14(4)15-10-8-12-18(13-15)11-6-2/h1,14-17H,6-13H2,2-4H3
InChIKeyBPDLTEWFSSPRDQ-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.89
Rot. Bonds7

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

N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine (PubChem CID 113477136) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine.

Molecular Properties

Compound NameN-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine
PubChem CID113477136
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine
SMILESC#CCC(CC)NC(C)C1CCCN(CCC)C1
InChIInChI=1S/C16H30N2/c1-5-9-16(7-3)17-14(4)15-10-8-12-18(13-15)11-6-2/h1,14-17H,6-13H2,2-4H3
InChIKeyBPDLTEWFSSPRDQ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308725
N-[1-(1-ethylpiperidin-3-yl)ethyl]hexan-3-amine
CID 62119464
3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 106186760
N-ethoxy-1-(1-propylpiperidin-3-yl)ethanamine
CID 82710396
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81375624
(1R)-1-[(3R)-1-propylpiperidin-3-yl]ethanol
CID 51697339
N-(oxan-4-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
CID 63726467
1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
CID 63011582
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472215
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
CID 115325204

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine?
The IUPAC name of N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine (CID 113477136) is N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine.
What is the SMILES notation for N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine?
The canonical SMILES for N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine is C#CCC(CC)NC(C)C1CCCN(CCC)C1.
What is the InChIKey of N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine?
The InChIKey is BPDLTEWFSSPRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-9-16(7-3)17-14(4)15-10-8-12-18(13-15)11-6-2/h1,14-17H,6-13H2,2-4H3.
What are the key properties of N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine?
N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine has a molecular weight of 250.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine is sourced from PubChem (CID 113477136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).