1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C12H25N3 — CID 63206854

IUPAC1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCN(CCN1CCCC1)C(CN)C1CC1
InChIInChI=1S/C12H25N3/c1-14(12(10-13)11-4-5-11)8-9-15-6-2-3-7-15/h11-12H,2-10,13H2,1H3
InChIKeyGSQIMYVPAXGBTA-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.75
Rot. Bonds6

About 1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 63206854) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID63206854
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCN(CCN1CCCC1)C(CN)C1CC1
InChIInChI=1S/C12H25N3/c1-14(12(10-13)11-4-5-11)8-9-15-6-2-3-7-15/h11-12H,2-10,13H2,1H3
InChIKeyGSQIMYVPAXGBTA-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 116652523
N-(2-amino-1-cyclopropylethyl)-N-methyl-3-pyrrolidin-1-ylpropanamide
CID 116651609
N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
CID 62070003
1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276195
3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 116652528
1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine
CID 116652552
1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine
CID 62071758
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
1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303833
1-(3,5-difluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 106528656

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 63206854) is 1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CN(CCN1CCCC1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is GSQIMYVPAXGBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14(12(10-13)11-4-5-11)8-9-15-6-2-3-7-15/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 211.35 g/mol, XLogP of 0.75, 6 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-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63206854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).