(2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine

C11H27N3 — CID 102246344

IUPAC(2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine
SMILESCC(C)[C@@H](N)CN(C)C[C@H](N)C(C)C
InChIInChI=1S/C11H27N3/c1-8(2)10(12)6-14(5)7-11(13)9(3)4/h8-11H,6-7,12-13H2,1-5H3/t10-,11-/m0/s1
InChIKeyIIOPMMPXNBQXJY-QWRGUYRKSA-N
MW201.36 g/mol
LogP0.88
Rot. Bonds6

About (2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine

(2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine (PubChem CID 102246344) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is (2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine
PubChem CID102246344
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name(2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine
SMILESCC(C)[C@@H](N)CN(C)C[C@H](N)C(C)C
InChIInChI=1S/C11H27N3/c1-8(2)10(12)6-14(5)7-11(13)9(3)4/h8-11H,6-7,12-13H2,1-5H3/t10-,11-/m0/s1
InChIKeyIIOPMMPXNBQXJY-QWRGUYRKSA-N
XLogP0.88
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Ethanediamine, N1,N1-bis(1-methylethyl)-
CID 8459
1,2-Ethanediamine, N,N'-bis(1,3-dimethylbutyl)-
CID 469907
N,N-Dibutylethylenediamine
CID 77062
N~1~,N~1~-Dimethylbutane-1,2-diamine
CID 44652
[(2S)-2-amino-3,3-dimethylbutyl]dimethylamine
CID 30428933
4-Methyl-1-(propan-2-yl)pyrrolidin-3-amine
CID 58030188
N2,N2-Dimethyl-1,2-Butanediamine
CID 559569
(S)-N1,N1,4-trimethylpentane-1,2-diamine
CID 28599421
N,N'-Bis(3-methyl-2-butyl)-ethylenediamine
CID 469904
N'-(1,1-dimethylpropyl)-N-isopropyl-ethane-1,2-diamine
CID 469914
(1-Amino-3-ethylpentan-2-yl)dimethylamine
CID 42933682
3-Methyl-2-(pyrrolidin-1-yl)butan-1-amine
CID 43176112

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of (2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine (CID 102246344) is (2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine is CC(C)[C@@H](N)CN(C)C[C@H](N)C(C)C.
What is the InChIKey of (2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine?
The InChIKey is IIOPMMPXNBQXJY-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H27N3/c1-8(2)10(12)6-14(5)7-11(13)9(3)4/h8-11H,6-7,12-13H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of (2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine?
(2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine has a molecular weight of 201.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 102246344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).