N-(3-piperazin-1-ylpropyl)pentan-1-amine

C12H27N3 — CID 67333838

IUPACN-(3-piperazin-1-ylpropyl)pentan-1-amine
SMILESCCCCCNCCCN1CCNCC1
InChIInChI=1S/C12H27N3/c1-2-3-4-6-13-7-5-10-15-11-8-14-9-12-15/h13-14H,2-12H2,1H3
InChIKeyHQQBPTPVHNOJIT-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.06
Rot. Bonds8

About N-(3-piperazin-1-ylpropyl)pentan-1-amine

N-(3-piperazin-1-ylpropyl)pentan-1-amine (PubChem CID 67333838) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)pentan-1-amine.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)pentan-1-amine
PubChem CID67333838
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-(3-piperazin-1-ylpropyl)pentan-1-amine
SMILESCCCCCNCCCN1CCNCC1
InChIInChI=1S/C12H27N3/c1-2-3-4-6-13-7-5-10-15-11-8-14-9-12-15/h13-14H,2-12H2,1H3
InChIKeyHQQBPTPVHNOJIT-UHFFFAOYSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
1-tricosylpiperazine
CID 130183651
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
ethane;1-octylpiperazine
CID 144711845
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
diazanium;1-docosylpiperazine;dibromide
CID 157305429
4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine
CID 115240408

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)pentan-1-amine?
The IUPAC name of N-(3-piperazin-1-ylpropyl)pentan-1-amine (CID 67333838) is N-(3-piperazin-1-ylpropyl)pentan-1-amine.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)pentan-1-amine?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)pentan-1-amine is CCCCCNCCCN1CCNCC1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)pentan-1-amine?
The InChIKey is HQQBPTPVHNOJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-2-3-4-6-13-7-5-10-15-11-8-14-9-12-15/h13-14H,2-12H2,1H3.
What are the key properties of N-(3-piperazin-1-ylpropyl)pentan-1-amine?
N-(3-piperazin-1-ylpropyl)pentan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)pentan-1-amine is sourced from PubChem (CID 67333838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).