3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine

C12H27N3 — CID 79302990

IUPAC3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
SMILESCCN1CCCC1CN(C)C(C)CCN
InChIInChI=1S/C12H27N3/c1-4-15-9-5-6-12(15)10-14(3)11(2)7-8-13/h11-12H,4-10,13H2,1-3H3
InChIKeyBHZAOJADBFUHSJ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds6

About 3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine

3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine (PubChem CID 79302990) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
PubChem CID79302990
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
SMILESCCN1CCCC1CN(C)C(C)CCN
InChIInChI=1S/C12H27N3/c1-4-15-9-5-6-12(15)10-14(3)11(2)7-8-13/h11-12H,4-10,13H2,1-3H3
InChIKeyBHZAOJADBFUHSJ-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79312939
1-cyclopentyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79303331
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylnonane-1,2-diamine
CID 79313625
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide
CID 79313935
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83054894
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79312433
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 79303847
3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol
CID 114357457
4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 79314706
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine (CID 79302990) is 3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine is CCN1CCCC1CN(C)C(C)CCN.
What is the InChIKey of 3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine?
The InChIKey is BHZAOJADBFUHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-15-9-5-6-12(15)10-14(3)11(2)7-8-13/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine?
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 79302990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).