1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine

C7H17N3 — CID 139373352

IUPAC1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine
SMILESCNN1CCC(N(C)C)C1
InChIInChI=1S/C7H17N3/c1-8-10-5-4-7(6-10)9(2)3/h7-8H,4-6H2,1-3H3
InChIKeyCRCZOBRVAZRLIC-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.24
Rot. Bonds2

About 1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine

1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine (PubChem CID 139373352) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine
PubChem CID139373352
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine
SMILESCNN1CCC(N(C)C)C1
InChIInChI=1S/C7H17N3/c1-8-10-5-4-7(6-10)9(2)3/h7-8H,4-6H2,1-3H3
InChIKeyCRCZOBRVAZRLIC-UHFFFAOYSA-N
XLogP-0.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(cyclohexylmethyl)-3-N,3-N-dimethylpyrrolidine-1,3-diamine
CID 173118014
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
N,N-dimethyl-1-pyrrolidin-1-ylpyrrolidin-3-amine
CID 57226950
(3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine
CID 129226195
N,N-dimethyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-amine
CID 55159336
1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine
CID 153223545
trans-(1R,2R)-2-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol
CID 102732127
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone
CID 177006682
4-(dimethylamino)-N-methylpiperidine-1-carbothioamide
CID 115583416
3-(dimethylamino)pyrrolidine-1-carbonyl chloride
CID 79886816
N,N-dimethyl-1-[(trimethyl-λ4-sulfanyl)methyl]pyrrolidin-3-amine
CID 139527503
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine?
The IUPAC name of 1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine (CID 139373352) is 1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine.
What is the SMILES notation for 1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine?
The canonical SMILES for 1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine is CNN1CCC(N(C)C)C1.
What is the InChIKey of 1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine?
The InChIKey is CRCZOBRVAZRLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-8-10-5-4-7(6-10)9(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine?
1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine has a molecular weight of 143.23 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine is sourced from PubChem (CID 139373352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).