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

C15H31N3 — CID 56828316

IUPACN-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
SMILESCCCN1CCN(C(C)CCCNC2CC2)CC1
InChIInChI=1S/C15H31N3/c1-3-9-17-10-12-18(13-11-17)14(2)5-4-8-16-15-6-7-15/h14-16H,3-13H2,1-2H3
InChIKeyBEIYSQXZKXNNHT-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds8

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

N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine (PubChem CID 56828316) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
PubChem CID56828316
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
SMILESCCCN1CCN(C(C)CCCNC2CC2)CC1
InChIInChI=1S/C15H31N3/c1-3-9-17-10-12-18(13-11-17)14(2)5-4-8-16-15-6-7-15/h14-16H,3-13H2,1-2H3
InChIKeyBEIYSQXZKXNNHT-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.93
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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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)pentyl]cyclopropanamine
CID 62418577
N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
CID 62424326
N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine
CID 63163241
4-(4-propylpiperazin-1-yl)pentan-1-amine
CID 62423620
N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine
CID 55249022
N-[2-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 83043627
N-[4-(3-azaspiro[5.5]undecan-3-yl)pentyl]cyclopropanamine
CID 62930303
N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 62437779
N-(3-fluoropropyl)-1-propylpiperidin-4-amine
CID 81106690
1-(5-methylhexan-2-yl)-N-propylpiperidin-4-amine
CID 63925487
N-[4-(2,2,6,6-tetramethylmorpholin-4-yl)pentyl]cyclopropanamine
CID 102746064
N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine
CID 115901563

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine (CID 56828316) is N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine is CCCN1CCN(C(C)CCCNC2CC2)CC1.
What is the InChIKey of N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine?
The InChIKey is BEIYSQXZKXNNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-9-17-10-12-18(13-11-17)14(2)5-4-8-16-15-6-7-15/h14-16H,3-13H2,1-2H3.
What are the key properties of N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine?
N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 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)pentyl]cyclopropanamine is sourced from PubChem (CID 56828316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).