N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide

C9H24Br3N3 — CID 66986857

IUPACN',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide
SMILESBr.Br.Br.CN(C)CCCN[C@H]1CCNC1
InChIInChI=1S/C9H21N3.3BrH/c1-12(2)7-3-5-11-9-4-6-10-8-9;;;/h9-11H,3-8H2,1-2H3;3*1H/t9-;;;/m0.../s1
InChIKeyFQNHEQFIRRQNMB-DXYFNVQQSA-N
MW414.02 g/mol
LogP1.62
Rot. Bonds5

About N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide

N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide (PubChem CID 66986857) has the molecular formula C9H24Br3N3 and a molecular weight of 414.02 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide
PubChem CID66986857
Molecular FormulaC9H24Br3N3
Molecular Weight414.02 g/mol
Exact Mass410.95
IUPAC NameN',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide
SMILESBr.Br.Br.CN(C)CCCN[C@H]1CCNC1
InChIInChI=1S/C9H21N3.3BrH/c1-12(2)7-3-5-11-9-4-6-10-8-9;;;/h9-11H,3-8H2,1-2H3;3*1H/t9-;;;/m0.../s1
InChIKeyFQNHEQFIRRQNMB-DXYFNVQQSA-N
XLogP1.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.02
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide 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

N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine
CID 79742043
N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine
CID 106041004
(3S)-N-butylpyrrolidin-3-amine
CID 154470800
N-(3-methylsulfonylpropyl)pyrrolidin-3-amine
CID 79747715
N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine
CID 63726529
N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 79741324
N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43511552
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
CID 107245215
2-[2-(dimethylamino)ethoxy]-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 67242571
N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 117027507
N-but-3-ynylpyrrolidin-3-amine
CID 79741791
N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
CID 54903001

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide?
The IUPAC name of N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide (CID 66986857) is N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide.
What is the SMILES notation for N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide?
The canonical SMILES for N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide is Br.Br.Br.CN(C)CCCN[C@H]1CCNC1.
What is the InChIKey of N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide?
The InChIKey is FQNHEQFIRRQNMB-DXYFNVQQSA-N. The full InChI is InChI=1S/C9H21N3.3BrH/c1-12(2)7-3-5-11-9-4-6-10-8-9;;;/h9-11H,3-8H2,1-2H3;3*1H/t9-;;;/m0.../s1.
What are the key properties of N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide?
N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide has a molecular weight of 414.02 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide is sourced from PubChem (CID 66986857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).