N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine

C17H33N3 — CID 161481125

IUPACN-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine
SMILESCN(CC#CC(C)(C)C)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H33N3/c1-16(2,3)9-8-10-18(7)15-19-11-13-20(14-12-19)17(4,5)6/h10-15H2,1-7H3
InChIKeyKFVHGFCOEDQSPO-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.34
Rot. Bonds3

About N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine

N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine (PubChem CID 161481125) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine
PubChem CID161481125
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine
SMILESCN(CC#CC(C)(C)C)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H33N3/c1-16(2,3)9-8-10-18(7)15-19-11-13-20(14-12-19)17(4,5)6/h10-15H2,1-7H3
InChIKeyKFVHGFCOEDQSPO-UHFFFAOYSA-N
XLogP2.34
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine
CID 161481124
1-tert-butyl-4-(fluoromethyl)piperazine
CID 171581155
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine
CID 172516835
1-tert-butyl-4-propylpiperazine
CID 58721754
1-tert-butyl-4-methylpiperazine;propane
CID 159466011
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
CID 134335583
N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide
CID 168726966
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824
1-tert-butyl-4-(methylsulfonylmethyl)piperazine
CID 129088260
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
CID 54983611
1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
CID 59520016
1-tert-butyl-4,7,10-trimethyl-1,4,7,10-tetrazacyclododecane;methane;zinc
CID 162271168

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine?
The IUPAC name of N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine (CID 161481125) is N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine.
What is the SMILES notation for N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine?
The canonical SMILES for N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine is CN(CC#CC(C)(C)C)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine?
The InChIKey is KFVHGFCOEDQSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-16(2,3)9-8-10-18(7)15-19-11-13-20(14-12-19)17(4,5)6/h10-15H2,1-7H3.
What are the key properties of N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine?
N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine is sourced from PubChem (CID 161481125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).