(2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine

C12H28N2 — CID 102199376

IUPAC(2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine
SMILESCC(C)N(C[C@@H](N)C(C)(C)C)C(C)C
InChIInChI=1S/C12H28N2/c1-9(2)14(10(3)4)8-11(13)12(5,6)7/h9-11H,8,13H2,1-7H3/t11-/m1/s1
InChIKeyDEEGRSRHSIFOJH-LLVKDONJSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds4

About (2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine

(2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine (PubChem CID 102199376) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine
PubChem CID102199376
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name(2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine
SMILESCC(C)N(C[C@@H](N)C(C)(C)C)C(C)C
InChIInChI=1S/C12H28N2/c1-9(2)14(10(3)4)8-11(13)12(5,6)7/h9-11H,8,13H2,1-7H3/t11-/m1/s1
InChIKeyDEEGRSRHSIFOJH-LLVKDONJSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine?
The IUPAC name of (2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine (CID 102199376) is (2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine.
What is the SMILES notation for (2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine?
The canonical SMILES for (2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine is CC(C)N(C[C@@H](N)C(C)(C)C)C(C)C.
What is the InChIKey of (2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine?
The InChIKey is DEEGRSRHSIFOJH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H28N2/c1-9(2)14(10(3)4)8-11(13)12(5,6)7/h9-11H,8,13H2,1-7H3/t11-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine?
(2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine is sourced from PubChem (CID 102199376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).