1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine

C12H25N3 — CID 63276195

IUPAC1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
SMILESCN1CCC(CN(C)C(CN)C2CC2)C1
InChIInChI=1S/C12H25N3/c1-14-6-5-10(8-14)9-15(2)12(7-13)11-3-4-11/h10-12H,3-9,13H2,1-2H3
InChIKeyKOEZUPVNKYQLPQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.61
Rot. Bonds5

About 1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine (PubChem CID 63276195) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
PubChem CID63276195
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
SMILESCN1CCC(CN(C)C(CN)C2CC2)C1
InChIInChI=1S/C12H25N3/c1-14-6-5-10(8-14)9-15(2)12(7-13)11-3-4-11/h10-12H,3-9,13H2,1-2H3
InChIKeyKOEZUPVNKYQLPQ-UHFFFAOYSA-N
XLogP0.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63233100
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
2-N,3-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63276153
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 82406005
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 63274758
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63275722
1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206854
1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303833

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine (CID 63276195) is 1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine is CN1CCC(CN(C)C(CN)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is KOEZUPVNKYQLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-6-5-10(8-14)9-15(2)12(7-13)11-3-4-11/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 211.35 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63276195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).