2,4-dimethyl-1-nitrosopentane

C7H15NO — CID 143544578

IUPAC2,4-dimethyl-1-nitrosopentane
SMILESCC(C)CC(C)CN=O
InChIInChI=1S/C7H15NO/c1-6(2)4-7(3)5-8-9/h6-7H,4-5H2,1-3H3
InChIKeyLDKCXKPSAKBCJI-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.43
Rot. Bonds4

About 2,4-dimethyl-1-nitrosopentane

2,4-dimethyl-1-nitrosopentane (PubChem CID 143544578) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2,4-dimethyl-1-nitrosopentane.

Molecular Properties

Compound Name2,4-dimethyl-1-nitrosopentane
PubChem CID143544578
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2,4-dimethyl-1-nitrosopentane
SMILESCC(C)CC(C)CN=O
InChIInChI=1S/C7H15NO/c1-6(2)4-7(3)5-8-9/h6-7H,4-5H2,1-3H3
InChIKeyLDKCXKPSAKBCJI-UHFFFAOYSA-N
XLogP2.43
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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propane;2,4,6-trimethylheptane
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acetylene;2,4,6-trimethylheptane
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1-nitrosopropan-2-amine
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(4S)-2,4-dimethylhexane
CID 22810193
2,4-dimethylpentane
CID 157050020
(Z)-N-(2,4-dimethylpentyl)-2-methylbut-2-en-1-imine
CID 89091979
2,3-dimethyl-1-nitrosopentane
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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-nitrosopentane?
The IUPAC name of 2,4-dimethyl-1-nitrosopentane (CID 143544578) is 2,4-dimethyl-1-nitrosopentane.
What is the SMILES notation for 2,4-dimethyl-1-nitrosopentane?
The canonical SMILES for 2,4-dimethyl-1-nitrosopentane is CC(C)CC(C)CN=O.
What is the InChIKey of 2,4-dimethyl-1-nitrosopentane?
The InChIKey is LDKCXKPSAKBCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)4-7(3)5-8-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-nitrosopentane?
2,4-dimethyl-1-nitrosopentane has a molecular weight of 129.20 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-nitrosopentane is sourced from PubChem (CID 143544578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).