N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine

C14H31N3 — CID 106981897

IUPACN,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine
SMILESCC(C)C1(CN(C)CCCN(C)C)CCNC1
InChIInChI=1S/C14H31N3/c1-13(2)14(7-8-15-11-14)12-17(5)10-6-9-16(3)4/h13,15H,6-12H2,1-5H3
InChIKeyADRHXNLNKFCMNV-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.51
Rot. Bonds7

About N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine (PubChem CID 106981897) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine
PubChem CID106981897
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine
SMILESCC(C)C1(CN(C)CCCN(C)C)CCNC1
InChIInChI=1S/C14H31N3/c1-13(2)14(7-8-15-11-14)12-17(5)10-6-9-16(3)4/h13,15H,6-12H2,1-5H3
InChIKeyADRHXNLNKFCMNV-UHFFFAOYSA-N
XLogP1.51
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-2,7-diazaspiro[4.4]nonane
CID 3239935
3,3-Diethylpyrrolidine
CID 19090605
2-Methyl-2,7-diazaspiro(4.4)nonane
CID 4713500
2-Methyl-2,7-diazaspiro[4.5]decane
CID 20713879
3-Methyl-3-propylpyrrolidine
CID 22393542
3-(1-Methylpyrrolidin-3-yl)propan-1-amine
CID 23009458
7-Methyl-2,7-diazaspiro(4.5)decane
CID 55265305
3-Tert-butylpyrrolidine hydrochloride
CID 75421033
((5-Azaspiro(2.4)heptan-7-yl)methyl)dimethylamine
CID 121226985
3-(2,2-Dimethylpropyl)-2,2-dimethylpyrrolidine
CID 62952145
(3-Ethyl-1-methylpyrrolidin-3-yl)methanamine
CID 20763687
3-Tert-butylpyrrolidine
CID 23560870

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine (CID 106981897) is N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine is CC(C)C1(CN(C)CCCN(C)C)CCNC1.
What is the InChIKey of N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The InChIKey is ADRHXNLNKFCMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2)14(7-8-15-11-14)12-17(5)10-6-9-16(3)4/h13,15H,6-12H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 106981897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).