N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine

C17H36N4 — CID 18940745

IUPACN,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
SMILESC(CNCCC1CCCCN1)CNCCC1CCCCN1
InChIInChI=1S/C17H36N4/c1-3-12-20-16(6-1)8-14-18-10-5-11-19-15-9-17-7-2-4-13-21-17/h16-21H,1-15H2
InChIKeyFAKWUDSCVICXTE-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.62
Rot. Bonds10

About N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine

N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine (PubChem CID 18940745) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
PubChem CID18940745
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC NameN,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
SMILESC(CNCCC1CCCCN1)CNCCC1CCCCN1
InChIInChI=1S/C17H36N4/c1-3-12-20-16(6-1)8-14-18-10-5-11-19-15-9-17-7-2-4-13-21-17/h16-21H,1-15H2
InChIKeyFAKWUDSCVICXTE-UHFFFAOYSA-N
XLogP1.62
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-N-(2-piperidin-2-ylethyl)ethanamine
CID 115211186
N-(2-pyrrolidin-2-ylethyl)octan-1-amine
CID 115568837
N-(cyclobutylmethyl)-2-piperidin-2-ylethanamine
CID 115211136
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine
CID 62214311
N-methyl-2-piperidin-2-ylethanamine
CID 13073020
N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211157
2-methyl-N-(2-piperidin-2-ylethyl)propan-2-amine
CID 58843832
N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine
CID 94374891
2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210453
azane;2-propylpiperidine
CID 156844924

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine (CID 18940745) is N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine is C(CNCCC1CCCCN1)CNCCC1CCCCN1.
What is the InChIKey of N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine?
The InChIKey is FAKWUDSCVICXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-3-12-20-16(6-1)8-14-18-10-5-11-19-15-9-17-7-2-4-13-21-17/h16-21H,1-15H2.
What are the key properties of N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine?
N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine has a molecular weight of 296.50 g/mol, XLogP of 1.62, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 18940745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).