N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine

C14H26N2 — CID 63999312

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC(C)C1CCN(CC)CC1
InChIInChI=1S/C14H26N2/c1-6-14(4,5)15-12(3)13-8-10-16(7-2)11-9-13/h1,12-13,15H,7-11H2,2-5H3
InChIKeyVKNZCKGUNZWPML-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds4

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine

N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine (PubChem CID 63999312) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine
PubChem CID63999312
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC(C)C1CCN(CC)CC1
InChIInChI=1S/C14H26N2/c1-6-14(4,5)15-12(3)13-8-10-16(7-2)11-9-13/h1,12-13,15H,7-11H2,2-5H3
InChIKeyVKNZCKGUNZWPML-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylpropanamide
CID 61220165
2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine
CID 43673879
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N-[(1R)-1-cycloheptylethyl]-1-ethylpiperidin-4-amine
CID 81391096
5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 106144131
2-methyl-1-[4-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 63854648
1-[1-(1-ethylpiperidin-4-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 106249309
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine
CID 60816961
4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
CID 64913210
2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline
CID 65469902
N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 107922937

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine (CID 63999312) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine is C#CC(C)(C)NC(C)C1CCN(CC)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine?
The InChIKey is VKNZCKGUNZWPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-14(4,5)15-12(3)13-8-10-16(7-2)11-9-13/h1,12-13,15H,7-11H2,2-5H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine has a molecular weight of 222.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 63999312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).