N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine

C14H29N3 — CID 62424326

IUPACN-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
SMILESCCCN1CCN(CCCCNC2CC2)CC1
InChIInChI=1S/C14H29N3/c1-2-8-16-10-12-17(13-11-16)9-4-3-7-15-14-5-6-14/h14-15H,2-13H2,1H3
InChIKeySITWUURSOYYVCX-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.55
Rot. Bonds8

About N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine

N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine (PubChem CID 62424326) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
PubChem CID62424326
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
SMILESCCCN1CCN(CCCCNC2CC2)CC1
InChIInChI=1S/C14H29N3/c1-2-8-16-10-12-17(13-11-16)9-4-3-7-15-14-5-6-14/h14-15H,2-13H2,1H3
InChIKeySITWUURSOYYVCX-UHFFFAOYSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.55
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-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine (CID 62424326) is N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine is CCCN1CCN(CCCCNC2CC2)CC1.
What is the InChIKey of N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine?
The InChIKey is SITWUURSOYYVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-8-16-10-12-17(13-11-16)9-4-3-7-15-14-5-6-14/h14-15H,2-13H2,1H3.
What are the key properties of N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine?
N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine has a molecular weight of 239.41 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 62424326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).