(2S)-1-N-propan-2-ylpropane-1,2-diamine

C6H16N2 — CID 11480427

IUPAC(2S)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)NC[C@H](C)N
InChIInChI=1S/C6H16N2/c1-5(2)8-4-6(3)7/h5-6,8H,4,7H2,1-3H3/t6-/m0/s1
InChIKeyRUGMSNPOEXDQLW-LURJTMIESA-N
MW116.21 g/mol
LogP0.33
Rot. Bonds3

About (2S)-1-N-propan-2-ylpropane-1,2-diamine

(2S)-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 11480427) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is (2S)-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID11480427
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name(2S)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)NC[C@H](C)N
InChIInChI=1S/C6H16N2/c1-5(2)8-4-6(3)7/h5-6,8H,4,7H2,1-3H3/t6-/m0/s1
InChIKeyRUGMSNPOEXDQLW-LURJTMIESA-N
XLogP0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-propan-2-ylpropane-1,2-diamine (CID 11480427) is (2S)-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-propan-2-ylpropane-1,2-diamine is CC(C)NC[C@H](C)N.
What is the InChIKey of (2S)-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is RUGMSNPOEXDQLW-LURJTMIESA-N. The full InChI is InChI=1S/C6H16N2/c1-5(2)8-4-6(3)7/h5-6,8H,4,7H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-1-N-propan-2-ylpropane-1,2-diamine?
(2S)-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 11480427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).