N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine

C13H29N3 — CID 106976432

IUPACN,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
SMILESCCCC1(CN(C)CCN(C)C)CCCN1
InChIInChI=1S/C13H29N3/c1-5-7-13(8-6-9-14-13)12-16(4)11-10-15(2)3/h14H,5-12H2,1-4H3
InChIKeyMNGOZNPJEWYCOC-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds7

About N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 106976432) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
PubChem CID106976432
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
SMILESCCCC1(CN(C)CCN(C)C)CCCN1
InChIInChI=1S/C13H29N3/c1-5-7-13(8-6-9-14-13)12-16(4)11-10-15(2)3/h14H,5-12H2,1-4H3
InChIKeyMNGOZNPJEWYCOC-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]ethanamine
CID 106976299
3-methoxy-N-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]propan-1-amine
CID 106976403
N-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 106976507
2,2-dipropylpyrrolidine
CID 13332418
N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-methylethanamine
CID 83073163
N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 83073009
N-(2-methoxyethyl)-N-[(2-propylpyrrolidin-2-yl)methyl]pentan-3-amine
CID 106976339
N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine
CID 104595090
N-ethyl-N-[(2-propylpyrrolidin-2-yl)methyl]cyclohexanamine
CID 106976200
N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine
CID 106976307
2-(cyclopropylmethyl)-2-propylpyrrolidine
CID 66465576
1-cyclopropyl-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 83073465

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine (CID 106976432) is N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine is CCCC1(CN(C)CCN(C)C)CCCN1.
What is the InChIKey of N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is MNGOZNPJEWYCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-7-13(8-6-9-14-13)12-16(4)11-10-15(2)3/h14H,5-12H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 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'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 106976432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).