(2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine

C9H22N2 — CID 104868008

IUPAC(2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine
SMILESCC(C)C(C)CN[C@H](C)CN
InChIInChI=1S/C9H22N2/c1-7(2)8(3)6-11-9(4)5-10/h7-9,11H,5-6,10H2,1-4H3/t8?,9-/m1/s1
InChIKeyYOTQUCYNTQQVLB-YGPZHTELSA-N
MW158.29 g/mol
LogP1.22
Rot. Bonds5

About (2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine

(2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine (PubChem CID 104868008) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is (2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine
PubChem CID104868008
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name(2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine
SMILESCC(C)C(C)CN[C@H](C)CN
InChIInChI=1S/C9H22N2/c1-7(2)8(3)6-11-9(4)5-10/h7-9,11H,5-6,10H2,1-4H3/t8?,9-/m1/s1
InChIKeyYOTQUCYNTQQVLB-YGPZHTELSA-N
XLogP1.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine
CID 14795132
2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 24848525
N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine
CID 115901103
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655
2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
CID 64628962
2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103387734
2-N-[2-(methylamino)ethyl]propane-1,2-diamine
CID 91508922
(2R)-2-N-(2,2-dimethylpropyl)propane-1,2-diamine
CID 104868190
2-N-(2-ethylhexyl)propane-1,2-diamine
CID 57275977
2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine
CID 103389396
3-(1-aminopropan-2-ylamino)propane-1-thiol
CID 54076736
N-carbamoyl-2-(2,3-dimethylbutylamino)propanamide
CID 64569124

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine?
The IUPAC name of (2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine (CID 104868008) is (2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine is CC(C)C(C)CN[C@H](C)CN.
What is the InChIKey of (2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine?
The InChIKey is YOTQUCYNTQQVLB-YGPZHTELSA-N. The full InChI is InChI=1S/C9H22N2/c1-7(2)8(3)6-11-9(4)5-10/h7-9,11H,5-6,10H2,1-4H3/t8?,9-/m1/s1.
What are the key properties of (2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine?
(2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine is sourced from PubChem (CID 104868008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).