(2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine

C12H28N2 — CID 58597809

IUPAC(2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine
SMILESCC(C)N[C@H](CN(C)C)CC(C)(C)C
InChIInChI=1S/C12H28N2/c1-10(2)13-11(9-14(6)7)8-12(3,4)5/h10-11,13H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyUXVHOPLJVTYHQB-NSHDSACASA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds5

About (2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine

(2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine (PubChem CID 58597809) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is (2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine
PubChem CID58597809
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name(2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine
SMILESCC(C)N[C@H](CN(C)C)CC(C)(C)C
InChIInChI=1S/C12H28N2/c1-10(2)13-11(9-14(6)7)8-12(3,4)5/h10-11,13H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyUXVHOPLJVTYHQB-NSHDSACASA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine?
The IUPAC name of (2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine (CID 58597809) is (2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine.
What is the SMILES notation for (2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine?
The canonical SMILES for (2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine is CC(C)N[C@H](CN(C)C)CC(C)(C)C.
What is the InChIKey of (2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine?
The InChIKey is UXVHOPLJVTYHQB-NSHDSACASA-N. The full InChI is InChI=1S/C12H28N2/c1-10(2)13-11(9-14(6)7)8-12(3,4)5/h10-11,13H,8-9H2,1-7H3/t11-/m0/s1.
What are the key properties of (2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine?
(2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,1-N,4,4-tetramethyl-2-N-propan-2-ylpentane-1,2-diamine is sourced from PubChem (CID 58597809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).