N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine

C12H25N3 — CID 62860620

IUPACN-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCN1CCNCC1)CC1CCC1
InChIInChI=1S/C12H25N3/c1-14(11-12-3-2-4-12)9-10-15-7-5-13-6-8-15/h12-13H,2-11H2,1H3
InChIKeyCUZGLQHIHAJFGU-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.62
Rot. Bonds5

About N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine

N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine (PubChem CID 62860620) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
PubChem CID62860620
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCN1CCNCC1)CC1CCC1
InChIInChI=1S/C12H25N3/c1-14(11-12-3-2-4-12)9-10-15-7-5-13-6-8-15/h12-13H,2-11H2,1H3
InChIKeyCUZGLQHIHAJFGU-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
N-(cyclopentylmethyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230585
2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63274337
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-piperazin-1-ylethanamine
CID 79182703
N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230110
1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448880
N,N-dimethyl-1-[[methyl(2-piperazin-1-ylethyl)amino]methyl]cyclobutan-1-amine
CID 105414842
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224
N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63265346
4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine
CID 65094562
1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine
CID 65077785
N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine
CID 117029722

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine?
The IUPAC name of N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine (CID 62860620) is N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine is CN(CCN1CCNCC1)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine?
The InChIKey is CUZGLQHIHAJFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14(11-12-3-2-4-12)9-10-15-7-5-13-6-8-15/h12-13H,2-11H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine?
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine has a molecular weight of 211.35 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 62860620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).