4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine

C15H31N3 — CID 115415424

IUPAC4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine
SMILESCCNC(CCC1CC1)CC1CN(C)CCN1C
InChIInChI=1S/C15H31N3/c1-4-16-14(8-7-13-5-6-13)11-15-12-17(2)9-10-18(15)3/h13-16H,4-12H2,1-3H3
InChIKeyBFSWRTFZFZFOOC-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds7

About 4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine

4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine (PubChem CID 115415424) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine
PubChem CID115415424
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine
SMILESCCNC(CCC1CC1)CC1CN(C)CCN1C
InChIInChI=1S/C15H31N3/c1-4-16-14(8-7-13-5-6-13)11-15-12-17(2)9-10-18(15)3/h13-16H,4-12H2,1-3H3
InChIKeyBFSWRTFZFZFOOC-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 115517604
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 115415511
[1-cyclopentyl-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260117
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 106654179
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
CID 115415231
1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine
CID 115415407
1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
CID 82923377
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine
CID 115415336
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
1-cyclopropyl-N-ethyl-5-methylhexan-2-amine
CID 64906798
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine
CID 115415360
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpent-4-en-2-amine
CID 115415234

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine?
The IUPAC name of 4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine (CID 115415424) is 4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine.
What is the SMILES notation for 4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine?
The canonical SMILES for 4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine is CCNC(CCC1CC1)CC1CN(C)CCN1C.
What is the InChIKey of 4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine?
The InChIKey is BFSWRTFZFZFOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-16-14(8-7-13-5-6-13)11-15-12-17(2)9-10-18(15)3/h13-16H,4-12H2,1-3H3.
What are the key properties of 4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine?
4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine is sourced from PubChem (CID 115415424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).