1-N,1-N,3,4-tetramethylpentane-1,4-diamine

C9H22N2 — CID 89127364

IUPAC1-N,1-N,3,4-tetramethylpentane-1,4-diamine
SMILESCC(CCN(C)C)C(C)(C)N
InChIInChI=1S/C9H22N2/c1-8(9(2,3)10)6-7-11(4)5/h8H,6-7,10H2,1-5H3
InChIKeySYYXKCIHHKBICP-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.31
Rot. Bonds4

About 1-N,1-N,3,4-tetramethylpentane-1,4-diamine

1-N,1-N,3,4-tetramethylpentane-1,4-diamine (PubChem CID 89127364) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N,1-N,3,4-tetramethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,3,4-tetramethylpentane-1,4-diamine
PubChem CID89127364
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N,1-N,3,4-tetramethylpentane-1,4-diamine
SMILESCC(CCN(C)C)C(C)(C)N
InChIInChI=1S/C9H22N2/c1-8(9(2,3)10)6-7-11(4)5/h8H,6-7,10H2,1-5H3
InChIKeySYYXKCIHHKBICP-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3,4-tetramethylpentane-1,4-diamine?
The IUPAC name of 1-N,1-N,3,4-tetramethylpentane-1,4-diamine (CID 89127364) is 1-N,1-N,3,4-tetramethylpentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N,3,4-tetramethylpentane-1,4-diamine?
The canonical SMILES for 1-N,1-N,3,4-tetramethylpentane-1,4-diamine is CC(CCN(C)C)C(C)(C)N.
What is the InChIKey of 1-N,1-N,3,4-tetramethylpentane-1,4-diamine?
The InChIKey is SYYXKCIHHKBICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-8(9(2,3)10)6-7-11(4)5/h8H,6-7,10H2,1-5H3.
What are the key properties of 1-N,1-N,3,4-tetramethylpentane-1,4-diamine?
1-N,1-N,3,4-tetramethylpentane-1,4-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3,4-tetramethylpentane-1,4-diamine is sourced from PubChem (CID 89127364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).