N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine

C13H25N3 — CID 62773504

IUPACN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCN1CCN(C(C)CC)CC1
InChIInChI=1S/C13H25N3/c1-4-6-14-7-8-15-9-11-16(12-10-15)13(3)5-2/h1,13-14H,5-12H2,2-3H3
InChIKeyCPJIMCJQUOHHSR-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.63
Rot. Bonds6

About N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine

N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine (PubChem CID 62773504) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
PubChem CID62773504
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCN1CCN(C(C)CC)CC1
InChIInChI=1S/C13H25N3/c1-4-6-14-7-8-15-9-11-16(12-10-15)13(3)5-2/h1,13-14H,5-12H2,2-3H3
InChIKeyCPJIMCJQUOHHSR-UHFFFAOYSA-N
XLogP0.63
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 62773682
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-en-1-amine
CID 62775059
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62773502
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]pentan-2-amine
CID 62773872
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62773685
5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile
CID 62774224
4-(4-butan-2-ylpiperazin-1-yl)-N-ethylbutan-2-amine
CID 62772464
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
2-(4-methyl-1,4-diazepan-1-yl)-N-prop-2-ynylpropan-1-amine
CID 62558175
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline
CID 62775057

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine (CID 62773504) is N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine is C#CCNCCN1CCN(C(C)CC)CC1.
What is the InChIKey of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine?
The InChIKey is CPJIMCJQUOHHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-6-14-7-8-15-9-11-16(12-10-15)13(3)5-2/h1,13-14H,5-12H2,2-3H3.
What are the key properties of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine?
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine has a molecular weight of 223.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 62773504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).