5,5-dimethyl-N-propan-2-ylhexan-1-amine

C11H25N — CID 59447580

IUPAC5,5-dimethyl-N-propan-2-ylhexan-1-amine
SMILESCC(C)NCCCCC(C)(C)C
InChIInChI=1S/C11H25N/c1-10(2)12-9-7-6-8-11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyDXNHFCAGLZYCMD-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds5

About 5,5-dimethyl-N-propan-2-ylhexan-1-amine

5,5-dimethyl-N-propan-2-ylhexan-1-amine (PubChem CID 59447580) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 5,5-dimethyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-propan-2-ylhexan-1-amine
PubChem CID59447580
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name5,5-dimethyl-N-propan-2-ylhexan-1-amine
SMILESCC(C)NCCCCC(C)(C)C
InChIInChI=1S/C11H25N/c1-10(2)12-9-7-6-8-11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyDXNHFCAGLZYCMD-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane
CID 161005909
4,4-dimethyl-N-propan-2-ylpentan-1-amine;N-(2,2-dimethylpropyl)-3,3-dimethylbutan-1-amine
CID 159440730
[[2-methyl-6-(propan-2-ylamino)hexan-2-yl]amino]methanol
CID 142399787
N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 61166306
5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 55071072
N-propan-2-ylicosan-1-amine
CID 87246132
4-(propan-2-ylamino)butan-1-ol
CID 12950986
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine
CID 126671623
4-[hydroxy(dimethyl)silyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 90274901
N-ethyl-7,7-dimethyloctan-2-amine
CID 64504249
N'-propan-2-yloctane-1,8-diamine
CID 138605826
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 5,5-dimethyl-N-propan-2-ylhexan-1-amine (CID 59447580) is 5,5-dimethyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 5,5-dimethyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 5,5-dimethyl-N-propan-2-ylhexan-1-amine is CC(C)NCCCCC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-N-propan-2-ylhexan-1-amine?
The InChIKey is DXNHFCAGLZYCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-10(2)12-9-7-6-8-11(3,4)5/h10,12H,6-9H2,1-5H3.
What are the key properties of 5,5-dimethyl-N-propan-2-ylhexan-1-amine?
5,5-dimethyl-N-propan-2-ylhexan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 59447580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).