N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine

C14H29N3 — CID 61430975

IUPACN-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
SMILESCC(C)(C)N1CCN(CCCNC2CC2)CC1
InChIInChI=1S/C14H29N3/c1-14(2,3)17-11-9-16(10-12-17)8-4-7-15-13-5-6-13/h13,15H,4-12H2,1-3H3
InChIKeyABTPVYHNGRWGGB-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds5

About N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine

N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine (PubChem CID 61430975) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
PubChem CID61430975
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
SMILESCC(C)(C)N1CCN(CCCNC2CC2)CC1
InChIInChI=1S/C14H29N3/c1-14(2,3)17-11-9-16(10-12-17)8-4-7-15-13-5-6-13/h13,15H,4-12H2,1-3H3
InChIKeyABTPVYHNGRWGGB-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine (CID 61430975) is N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine is CC(C)(C)N1CCN(CCCNC2CC2)CC1.
What is the InChIKey of N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine?
The InChIKey is ABTPVYHNGRWGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(2,3)17-11-9-16(10-12-17)8-4-7-15-13-5-6-13/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine?
N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 61430975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).