N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine

C14H29N3 — CID 55072104

IUPACN-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3/c1-12(11-15-13-5-6-13)16-7-9-17(10-8-16)14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyXZLPZOWSTKCOCM-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds4

About N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine

N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine (PubChem CID 55072104) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
PubChem CID55072104
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3/c1-12(11-15-13-5-6-13)16-7-9-17(10-8-16)14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyXZLPZOWSTKCOCM-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine
CID 62411356
N-[2-(4-propan-2-ylpiperidin-1-yl)propyl]cyclopropanamine
CID 103503204
N-[2-(4-tert-butylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 62463018
N-[2-(4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 62557293
(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 103906834
N-[2-(4-ethylpiperidin-1-yl)propyl]cyclopropanamine
CID 62413434
N-[2-(azocan-1-yl)propyl]cyclopentanamine
CID 62558696
N-[2-(3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114412969
N-[2-(4-methylpiperazin-1-yl)propyl]cyclohexanamine
CID 62557467
N-[2-(4-methylazepan-1-yl)propyl]cyclopropanamine
CID 63625080
4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64726696

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine (CID 55072104) is N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine is CC(CNC1CC1)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine?
The InChIKey is XZLPZOWSTKCOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(11-15-13-5-6-13)16-7-9-17(10-8-16)14(2,3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine?
N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 55072104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).