N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine

C14H26N2 — CID 106226288

IUPACN-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine
SMILESC#CC(CCC)NC1CC(C)N(C)CC1C
InChIInChI=1S/C14H26N2/c1-6-8-13(7-2)15-14-9-12(4)16(5)10-11(14)3/h2,11-15H,6,8-10H2,1,3-5H3
InChIKeyWNIQUEXLABGMMP-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds4

About N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine

N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine (PubChem CID 106226288) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine
PubChem CID106226288
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine
SMILESC#CC(CCC)NC1CC(C)N(C)CC1C
InChIInChI=1S/C14H26N2/c1-6-8-13(7-2)15-14-9-12(4)16(5)10-11(14)3/h2,11-15H,6,8-10H2,1,3-5H3
InChIKeyWNIQUEXLABGMMP-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

1,2,5-trimethyl-N-octan-4-ylpiperidin-4-amine
CID 113262513
(2R,4R,5R)-1,2,5-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 93258428
1,2,5-trimethyl-N-(5-methylhexan-2-yl)piperidin-4-amine
CID 43665462
(2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol
CID 124526611
N-hex-1-yn-3-yl-5-methylthiolan-3-amine
CID 106225796
3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
CID 79254544
(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine
CID 93258445
1,2,5-trimethyl-N-(1-phenylpropyl)piperidin-4-amine
CID 62305036
N-hex-1-yn-3-yl-1-methylpyrrolidin-3-amine
CID 106225749
N-[1-(4-ethylphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43684158
1,2,5-trimethyl-N-(3-methylcyclopentyl)piperidin-4-amine
CID 114543938
N-(1-cyclohexylethyl)-1,2,5-trimethylpiperidin-4-amine
CID 55069404

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine (CID 106226288) is N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine is C#CC(CCC)NC1CC(C)N(C)CC1C.
What is the InChIKey of N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is WNIQUEXLABGMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-8-13(7-2)15-14-9-12(4)16(5)10-11(14)3/h2,11-15H,6,8-10H2,1,3-5H3.
What are the key properties of N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine?
N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-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-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 106226288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).