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

C9H22N2 — CID 54593855

IUPAC1-N,1-N,4,4-tetramethylpentane-1,3-diamine
SMILESCN(C)CCC(N)C(C)(C)C
InChIInChI=1S/C9H22N2/c1-9(2,3)8(10)6-7-11(4)5/h8H,6-7,10H2,1-5H3
InChIKeyNSDLRARBCRDPFU-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.31
Rot. Bonds3

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

1-N,1-N,4,4-tetramethylpentane-1,3-diamine (PubChem CID 54593855) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N,1-N,4,4-tetramethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,4,4-tetramethylpentane-1,3-diamine
PubChem CID54593855
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N,1-N,4,4-tetramethylpentane-1,3-diamine
SMILESCN(C)CCC(N)C(C)(C)C
InChIInChI=1S/C9H22N2/c1-9(2,3)8(10)6-7-11(4)5/h8H,6-7,10H2,1-5H3
InChIKeyNSDLRARBCRDPFU-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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,4,4-tetramethylpentane-1,3-diamine?
The IUPAC name of 1-N,1-N,4,4-tetramethylpentane-1,3-diamine (CID 54593855) is 1-N,1-N,4,4-tetramethylpentane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,4,4-tetramethylpentane-1,3-diamine?
The canonical SMILES for 1-N,1-N,4,4-tetramethylpentane-1,3-diamine is CN(C)CCC(N)C(C)(C)C.
What is the InChIKey of 1-N,1-N,4,4-tetramethylpentane-1,3-diamine?
The InChIKey is NSDLRARBCRDPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-9(2,3)8(10)6-7-11(4)5/h8H,6-7,10H2,1-5H3.
What are the key properties of 1-N,1-N,4,4-tetramethylpentane-1,3-diamine?
1-N,1-N,4,4-tetramethylpentane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4,4-tetramethylpentane-1,3-diamine is sourced from PubChem (CID 54593855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).