4,4-dimethylpentan-1-amine

C7H17N — CID 14454757

IUPAC4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCCN
InChIInChI=1S/C7H17N/c1-7(2,3)5-4-6-8/h4-6,8H2,1-3H3
InChIKeyMJOCCSXOVAVKFC-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.77
Rot. Bonds2

About 4,4-dimethylpentan-1-amine

4,4-dimethylpentan-1-amine (PubChem CID 14454757) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is 4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name4,4-dimethylpentan-1-amine
PubChem CID14454757
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Name4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCCN
InChIInChI=1S/C7H17N/c1-7(2,3)5-4-6-8/h4-6,8H2,1-3H3
InChIKeyMJOCCSXOVAVKFC-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

12,12-dimethyltridecan-1-amine
CID 87103604
5,5-dimethylhexan-1-amine;hydrochloride
CID 143616686
18,18-dimethylnonadecan-1-amine
CID 53249240
18,18-dimethylnonadecan-1-amine;hydrofluoride
CID 173042311
CID 160729242
CID 160729242
3,3-dimethylbutan-1-amine;hydroiodide
CID 173144991
3,3-dimethylbutan-1-amine;hydrobromide
CID 173119170
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
CID 58409020
barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218
propane-1,3-diamine;propane-2,2-diamine
CID 159356345
molecular hydrogen;2,2,6,6-tetramethylheptane
CID 169194475
azane;2,2-dimethylbutane;propane-1,3-diamine
CID 173127451

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentan-1-amine?
The IUPAC name of 4,4-dimethylpentan-1-amine (CID 14454757) is 4,4-dimethylpentan-1-amine.
What is the SMILES notation for 4,4-dimethylpentan-1-amine?
The canonical SMILES for 4,4-dimethylpentan-1-amine is CC(C)(C)CCCN.
What is the InChIKey of 4,4-dimethylpentan-1-amine?
The InChIKey is MJOCCSXOVAVKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N/c1-7(2,3)5-4-6-8/h4-6,8H2,1-3H3.
What are the key properties of 4,4-dimethylpentan-1-amine?
4,4-dimethylpentan-1-amine has a molecular weight of 115.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentan-1-amine is sourced from PubChem (CID 14454757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).