2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine

C16H35N3 — CID 83054894

IUPAC2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
SMILESCCCC(CNC(C)C)N(C)CC1CCCN1CC
InChIInChI=1S/C16H35N3/c1-6-9-15(12-17-14(3)4)18(5)13-16-10-8-11-19(16)7-2/h14-17H,6-13H2,1-5H3
InChIKeyXNEJILHSJZERER-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds9

About 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine (PubChem CID 83054894) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
PubChem CID83054894
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
SMILESCCCC(CNC(C)C)N(C)CC1CCCN1CC
InChIInChI=1S/C16H35N3/c1-6-9-15(12-17-14(3)4)18(5)13-16-10-8-11-19(16)7-2/h14-17H,6-13H2,1-5H3
InChIKeyXNEJILHSJZERER-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine with MolForge

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Related Compounds

1-N-cyclopropyl-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054981
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 103226897
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79312433
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79312939
1-N-cyclopropyl-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylbutane-1,2-diamine
CID 79312570
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylnonane-1,2-diamine
CID 79313625
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226895
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 79312886
4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 79314706
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine
CID 79312802
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 79315116

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine?
The IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine (CID 83054894) is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine is CCCC(CNC(C)C)N(C)CC1CCCN1CC.
What is the InChIKey of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine?
The InChIKey is XNEJILHSJZERER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-9-15(12-17-14(3)4)18(5)13-16-10-8-11-19(16)7-2/h14-17H,6-13H2,1-5H3.
What are the key properties of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine?
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine is sourced from PubChem (CID 83054894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).