(2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine

C8H20N2 — CID 58015292

IUPAC(2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCNC[C@H](C)NCC(C)C
InChIInChI=1S/C8H20N2/c1-7(2)5-10-8(3)6-9-4/h7-10H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyZGDHMGKDEVKRFA-QMMMGPOBSA-N
MW144.26 g/mol
LogP0.84
Rot. Bonds5

About (2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine

(2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 58015292) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID58015292
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCNC[C@H](C)NCC(C)C
InChIInChI=1S/C8H20N2/c1-7(2)5-10-8(3)6-9-4/h7-10H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyZGDHMGKDEVKRFA-QMMMGPOBSA-N
XLogP0.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-N,3-dimethyl-2-N-(2-methylpropyl)butane-1,2-diamine
CID 166718424
N,2-dimethylpropan-1-amine;methanamine
CID 144585140
1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine
CID 104519164
(2S)-2-(methylamino)-3-[[(2S)-1-(methylamino)propan-2-yl]amino]propane-1-thiol
CID 134314000
3-[1-(methylamino)propan-2-ylamino]-2-[2-(methylamino)propylamino]propane-1-thiol
CID 142296451
2-methyl-4-N-(2-methylpropyl)pentane-2,4-diamine
CID 88754730
CID 159823868
CID 159823868
1-N'-(2-methylpropyl)ethane-1,1-diamine
CID 90182021
(1S)-1-(2-methylpropylamino)ethanethiol
CID 168900997
3-(2-methylpropylamino)butanamide
CID 90751378
(2R)-2-N-ethenyl-1-N-methylpropane-1,2-diamine
CID 163535378
2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 102849728

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of (2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine (CID 58015292) is (2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine is CNC[C@H](C)NCC(C)C.
What is the InChIKey of (2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is ZGDHMGKDEVKRFA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H20N2/c1-7(2)5-10-8(3)6-9-4/h7-10H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine?
(2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 58015292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).