1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine

C10H23N3 — CID 63207042

IUPAC1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
SMILESCC(N)CN(C)CCN1CCCC1
InChIInChI=1S/C10H23N3/c1-10(11)9-12(2)7-8-13-5-3-4-6-13/h10H,3-9,11H2,1-2H3
InChIKeyRNKSAMJSGHFBSW-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.36
Rot. Bonds5

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

1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine (PubChem CID 63207042) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
PubChem CID63207042
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
SMILESCC(N)CN(C)CCN1CCCC1
InChIInChI=1S/C10H23N3/c1-10(11)9-12(2)7-8-13-5-3-4-6-13/h10H,3-9,11H2,1-2H3
InChIKeyRNKSAMJSGHFBSW-UHFFFAOYSA-N
XLogP0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206956
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,2-diamine
CID 63209097
4-methoxy-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63208714
1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 63207611
ethyl 3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoate
CID 63211159
N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 81080728
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 63211113
1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206777
3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
CID 79395842
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 115941386

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine (CID 63207042) is 1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine is CC(N)CN(C)CCN1CCCC1.
What is the InChIKey of 1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The InChIKey is RNKSAMJSGHFBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-10(11)9-12(2)7-8-13-5-3-4-6-13/h10H,3-9,11H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 63207042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).