(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine

C9H23N3 — CID 103934671

IUPAC(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine
SMILESC[C@H](N)CN(C)CCCN(C)C
InChIInChI=1S/C9H23N3/c1-9(10)8-12(4)7-5-6-11(2)3/h9H,5-8,10H2,1-4H3/t9-/m0/s1
InChIKeyNJSXCYXLIKUBNX-VIFPVBQESA-N
MW173.30 g/mol
LogP0.22
Rot. Bonds6

About (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine

(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine (PubChem CID 103934671) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine
PubChem CID103934671
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine
SMILESC[C@H](N)CN(C)CCCN(C)C
InChIInChI=1S/C9H23N3/c1-9(10)8-12(4)7-5-6-11(2)3/h9H,5-8,10H2,1-4H3/t9-/m0/s1
InChIKeyNJSXCYXLIKUBNX-VIFPVBQESA-N
XLogP0.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine (CID 103934671) is (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine is C[C@H](N)CN(C)CCCN(C)C.
What is the InChIKey of (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine?
The InChIKey is NJSXCYXLIKUBNX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H23N3/c1-9(10)8-12(4)7-5-6-11(2)3/h9H,5-8,10H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine?
(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103934671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).