2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine

C16H33N3 — CID 55056218

IUPAC2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
SMILESCCNCC(CC)(CC)CN1CCN(C2CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-16(5-2,13-17-6-3)14-18-9-11-19(12-10-18)15-7-8-15/h15,17H,4-14H2,1-3H3
InChIKeyQLEFKKSJFZKRRD-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds8

About 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine

2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine (PubChem CID 55056218) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
PubChem CID55056218
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
SMILESCCNCC(CC)(CC)CN1CCN(C2CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-16(5-2,13-17-6-3)14-18-9-11-19(12-10-18)15-7-8-15/h15,17H,4-14H2,1-3H3
InChIKeyQLEFKKSJFZKRRD-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 62272448
N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine
CID 62259717
N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62257771
2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 62369813
N,2-diethyl-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 62974610
N,2-diethyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 62270235
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine
CID 63494890
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62270790
N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine
CID 55056217
1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-4-ol
CID 62263890
N-[2-ethyl-2-[(4-propylpiperazin-1-yl)methyl]butyl]cyclopropanamine
CID 62261471
1-[2-(bromomethyl)-2-ethylbutyl]-4-piperidin-1-ylpiperidine
CID 65003379

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine?
The IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine (CID 55056218) is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine.
What is the SMILES notation for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine?
The canonical SMILES for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine is CCNCC(CC)(CC)CN1CCN(C2CC2)CC1.
What is the InChIKey of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine?
The InChIKey is QLEFKKSJFZKRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-16(5-2,13-17-6-3)14-18-9-11-19(12-10-18)15-7-8-15/h15,17H,4-14H2,1-3H3.
What are the key properties of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine?
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine is sourced from PubChem (CID 55056218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).