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

C12H27N3 — CID 104870166

IUPACN,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
SMILESCCCN(CCN(C)C)C[C@@H]1CCCN1
InChIInChI=1S/C12H27N3/c1-4-8-15(10-9-14(2)3)11-12-6-5-7-13-12/h12-13H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyQYZXTADQUCELMD-LBPRGKRZSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds7

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

N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine (PubChem CID 104870166) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
PubChem CID104870166
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
SMILESCCCN(CCN(C)C)C[C@@H]1CCCN1
InChIInChI=1S/C12H27N3/c1-4-8-15(10-9-14(2)3)11-12-6-5-7-13-12/h12-13H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyQYZXTADQUCELMD-LBPRGKRZSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617601
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933695
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
CID 106615913
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615615
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635829

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine (CID 104870166) is N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine is CCCN(CCN(C)C)C[C@@H]1CCCN1.
What is the InChIKey of N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is QYZXTADQUCELMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-8-15(10-9-14(2)3)11-12-6-5-7-13-12/h12-13H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 104870166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).