N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine

C9H21N3 — CID 11851189

IUPACN',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
SMILESCN(C)CCNC[C@@H]1CCCN1
InChIInChI=1S/C9H21N3/c1-12(2)7-6-10-8-9-4-3-5-11-9/h9-11H,3-8H2,1-2H3/t9-/m0/s1
InChIKeySXJUMWGHRVCRAW-VIFPVBQESA-N
MW171.29 g/mol
LogP-0.11
Rot. Bonds5

About N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine (PubChem CID 11851189) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
PubChem CID11851189
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
SMILESCN(C)CCNC[C@@H]1CCCN1
InChIInChI=1S/C9H21N3/c1-12(2)7-6-10-8-9-4-3-5-11-9/h9-11H,3-8H2,1-2H3/t9-/m0/s1
InChIKeySXJUMWGHRVCRAW-VIFPVBQESA-N
XLogP-0.11
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Aminomethyl-1-ethylpyrrolidine
CID 117295
(S)-(+)-2-(Aminomethyl)pyrrolidine
CID 2734054
Methyl(2-(pyrrolidin-1-yl)ethyl)amine
CID 295976
2-(Pyrrolidin-1-ylmethyl)pyrrolidine
CID 142825
(S)-(+)-1-(2-Pyrrolidinylmethyl)pyrrolidine
CID 853152
2-(2,2-Dimethylpyrrolidin-1-yl)ethan-1-amine
CID 45157077
3-Methyl-octahydropyrrolo(1,2-a)piperazine
CID 18958803
3-(Pyrrolidin-1-yl)piperidine
CID 573611
(S)-(-)-2-Aminomethyl-1-ethylpyrrolidine
CID 643457
(2R)-1-Ethyl-2-pyrrolidinemethanamine
CID 854138
N,N'-Bis(2-pentyl)-ethylenediamine
CID 42677
3-(Dimethylamino)pyrrolidine
CID 2758519

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine (CID 11851189) is N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine is CN(C)CCNC[C@@H]1CCCN1.
What is the InChIKey of N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is SXJUMWGHRVCRAW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21N3/c1-12(2)7-6-10-8-9-4-3-5-11-9/h9-11H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 171.29 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 11851189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).