N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine

C15H31N3 — CID 62556729

IUPACN-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCN1CCN(C2CC2)CC1
InChIInChI=1S/C15H31N3/c1-15(2,3)6-7-16-8-9-17-10-12-18(13-11-17)14-4-5-14/h14,16H,4-13H2,1-3H3
InChIKeyJQBYNIRZVIYASM-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine

N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 62556729) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID62556729
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCN1CCN(C2CC2)CC1
InChIInChI=1S/C15H31N3/c1-15(2,3)6-7-16-8-9-17-10-12-18(13-11-17)14-4-5-14/h14,16H,4-13H2,1-3H3
InChIKeyJQBYNIRZVIYASM-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62560247
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]propan-1-amine
CID 62369763
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62556377
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 103540057
N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561731
N-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 63502262
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 55085604
3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62559929
1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 160625863
2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)-2-methylbutan-1-ol
CID 64826851
2-(4-cyclopropylpiperazin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55089324
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561718

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine (CID 62556729) is N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCCN1CCN(C2CC2)CC1.
What is the InChIKey of N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is JQBYNIRZVIYASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-15(2,3)6-7-16-8-9-17-10-12-18(13-11-17)14-4-5-14/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 62556729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).