N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine

C11H25N3 — CID 118516090

IUPACN,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
SMILESCN(C)CCCN(C)[C@H]1CCN(C)C1
InChIInChI=1S/C11H25N3/c1-12(2)7-5-8-14(4)11-6-9-13(3)10-11/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyLSWCYORTSQLVNO-NSHDSACASA-N
MW199.34 g/mol
LogP0.57
Rot. Bonds5

About N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine (PubChem CID 118516090) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
PubChem CID118516090
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
SMILESCN(C)CCCN(C)[C@H]1CCN(C)C1
InChIInChI=1S/C11H25N3/c1-12(2)7-5-8-14(4)11-6-9-13(3)10-11/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyLSWCYORTSQLVNO-NSHDSACASA-N
XLogP0.57
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol
CID 105343956
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 144721860
N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
CID 115261820
N,1-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolidin-3-amine
CID 145256619
N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide
CID 55084848
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
3-N-[3-(dimethylamino)propyl]-3-N-methylcyclopentane-1,3-diamine
CID 79469198
N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255572

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine (CID 118516090) is N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine is CN(C)CCCN(C)[C@H]1CCN(C)C1.
What is the InChIKey of N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine?
The InChIKey is LSWCYORTSQLVNO-NSHDSACASA-N. The full InChI is InChI=1S/C11H25N3/c1-12(2)7-5-8-14(4)11-6-9-13(3)10-11/h11H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine is sourced from PubChem (CID 118516090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).