N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine

C13H28N4 — CID 121359030

IUPACN-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(CNC[C@H]2CCNC2)C1
InChIInChI=1S/C13H28N4/c1-2-14-9-13-4-6-17(10-13)11-16-8-12-3-5-15-7-12/h12-16H,2-11H2,1H3/t12-,13?/m0/s1
InChIKeyKEEGWRFMAKSYCU-UEWDXFNNSA-N
MW240.39 g/mol
LogP0.07
Rot. Bonds7

About N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine

N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 121359030) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine
PubChem CID121359030
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(CNC[C@H]2CCNC2)C1
InChIInChI=1S/C13H28N4/c1-2-14-9-13-4-6-17(10-13)11-16-8-12-3-5-15-7-12/h12-16H,2-11H2,1H3/t12-,13?/m0/s1
InChIKeyKEEGWRFMAKSYCU-UEWDXFNNSA-N
XLogP0.07
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane
CID 159305562
N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208872
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 63227216
N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 79731365
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855134
N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 13491799
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-piperidin-3-ylacetamide
CID 62690196
N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63897637
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine (CID 121359030) is N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(CNC[C@H]2CCNC2)C1.
What is the InChIKey of N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is KEEGWRFMAKSYCU-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H28N4/c1-2-14-9-13-4-6-17(10-13)11-16-8-12-3-5-15-7-12/h12-16H,2-11H2,1H3/t12-,13?/m0/s1.
What are the key properties of N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 240.39 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 121359030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).