N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine

C15H31N3 — CID 62778203

IUPACN-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H31N3/c1-4-15(11-16-14-5-6-14)18-9-7-17(8-10-18)12-13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyMNZMHYMHAIFJAO-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds7

About N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine

N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine (PubChem CID 62778203) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine
PubChem CID62778203
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H31N3/c1-4-15(11-16-14-5-6-14)18-9-7-17(8-10-18)12-13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyMNZMHYMHAIFJAO-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

N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine
CID 103226330
1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775844
N-[2-(azocan-1-yl)butyl]cyclopropanamine
CID 62419227
N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine
CID 62430618
N-[2-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 83043627
N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopropanamine
CID 62773117
N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
CID 65287005
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine
CID 62419457
3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103783971
N-[2-(2-ethylmorpholin-4-yl)butyl]cyclopropanamine
CID 62431717
N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62772925
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylbutan-1-amine
CID 62411398

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine (CID 62778203) is N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine is CCC(CNC1CC1)N1CCN(CC(C)C)CC1.
What is the InChIKey of N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine?
The InChIKey is MNZMHYMHAIFJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-15(11-16-14-5-6-14)18-9-7-17(8-10-18)12-13(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine?
N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine 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 N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine is sourced from PubChem (CID 62778203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).