2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine

C13H27N3 — CID 62411398

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine
SMILESCCC(CNC)N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H27N3/c1-3-13(10-14-2)16-8-6-15(7-9-16)11-12-4-5-12/h12-14H,3-11H2,1-2H3
InChIKeyRIYNUKJIDDUCKV-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds6

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine

2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine (PubChem CID 62411398) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine
PubChem CID62411398
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine
SMILESCCC(CNC)N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H27N3/c1-3-13(10-14-2)16-8-6-15(7-9-16)11-12-4-5-12/h12-14H,3-11H2,1-2H3
InChIKeyRIYNUKJIDDUCKV-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine
CID 796138
N-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
CID 63005080
2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine
CID 61440391
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine
CID 62411228
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 76915724
2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
CID 61441064
2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine
CID 106589339
N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine
CID 62778203
1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine
CID 62042082
methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate
CID 60965667
N-(1-cyclopropylpropan-2-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115709200
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine (CID 62411398) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine is CCC(CNC)N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine?
The InChIKey is RIYNUKJIDDUCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-13(10-14-2)16-8-6-15(7-9-16)11-12-4-5-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 62411398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).