2,2,4,5,5-pentamethylhexan-3-amine

C11H25N — CID 131148580

IUPAC2,2,4,5,5-pentamethylhexan-3-amine
SMILESCC(C(N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H25N/c1-8(10(2,3)4)9(12)11(5,6)7/h8-9H,12H2,1-7H3
InChIKeyIUIJKYZERWCLEX-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.04
Rot. Bonds1

About 2,2,4,5,5-pentamethylhexan-3-amine

2,2,4,5,5-pentamethylhexan-3-amine (PubChem CID 131148580) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2,2,4,5,5-pentamethylhexan-3-amine.

Molecular Properties

Compound Name2,2,4,5,5-pentamethylhexan-3-amine
PubChem CID131148580
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2,2,4,5,5-pentamethylhexan-3-amine
SMILESCC(C(N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H25N/c1-8(10(2,3)4)9(12)11(5,6)7/h8-9H,12H2,1-7H3
InChIKeyIUIJKYZERWCLEX-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5,6,6-pentamethylheptan-2-amine
CID 130427184
1-methoxy-3,4,4-trimethylpentan-2-amine
CID 131227097
(3S)-2,2-difluoro-4-methylpentan-3-amine
CID 84648303
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 134406960
1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine
CID 103311915
2,3,4,5,6,7,8,9,9-nonamethyldecan-1-amine
CID 146383769
(2R,3S)-3,4,4-trimethylpentan-2-ol
CID 58403064
3,3-dimethylbutan-2-amine;N-methylmethanamine
CID 143170120
2,2,3,4,5-pentamethylheptane
CID 53428630
2-amino-2,4,5,5-tetramethylhexan-3-ol
CID 130506923
(3S)-3-amino-2-chloro-4-methylpentan-2-ol
CID 58522331
2,2,6,6-tetramethylheptane-3,4-diamine
CID 175410275

Frequently Asked Questions

What is the IUPAC name of 2,2,4,5,5-pentamethylhexan-3-amine?
The IUPAC name of 2,2,4,5,5-pentamethylhexan-3-amine (CID 131148580) is 2,2,4,5,5-pentamethylhexan-3-amine.
What is the SMILES notation for 2,2,4,5,5-pentamethylhexan-3-amine?
The canonical SMILES for 2,2,4,5,5-pentamethylhexan-3-amine is CC(C(N)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,4,5,5-pentamethylhexan-3-amine?
The InChIKey is IUIJKYZERWCLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-8(10(2,3)4)9(12)11(5,6)7/h8-9H,12H2,1-7H3.
What are the key properties of 2,2,4,5,5-pentamethylhexan-3-amine?
2,2,4,5,5-pentamethylhexan-3-amine has a molecular weight of 171.33 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5,5-pentamethylhexan-3-amine is sourced from PubChem (CID 131148580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).