3,4,5,6,6-pentamethylheptan-2-amine

C12H27N — CID 130427184

IUPAC3,4,5,6,6-pentamethylheptan-2-amine
SMILESCC(N)C(C)C(C)C(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-8(9(2)11(4)13)10(3)12(5,6)7/h8-11H,13H2,1-7H3
InChIKeyBEXIUSOPZADHAK-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.29
Rot. Bonds3

About 3,4,5,6,6-pentamethylheptan-2-amine

3,4,5,6,6-pentamethylheptan-2-amine (PubChem CID 130427184) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3,4,5,6,6-pentamethylheptan-2-amine.

Molecular Properties

Compound Name3,4,5,6,6-pentamethylheptan-2-amine
PubChem CID130427184
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3,4,5,6,6-pentamethylheptan-2-amine
SMILESCC(N)C(C)C(C)C(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-8(9(2)11(4)13)10(3)12(5,6)7/h8-11H,13H2,1-7H3
InChIKeyBEXIUSOPZADHAK-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,4,5,5-pentamethylhexan-3-amine
CID 131148580
2,3,4,5,6,7,8,9,9-nonamethyldecan-1-amine
CID 146383769
(2R)-3-methylbutan-2-amine
CID 6999786
2,2,3,4,5-pentamethylheptane
CID 53428630
(3S)-2,2-difluoro-4-methylpentan-3-amine
CID 84648303
(2S)-3-methylbutan-2-amine;2-methylpropane
CID 161042679
(3R)-butane-2,3-diamine
CID 172719520
5-ethyl-3,4-dimethylheptan-2-amine
CID 146192977
(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine
CID 122577413
1-methoxy-3,4,4-trimethylpentan-2-amine
CID 131227097
(2R,3S)-3,4,4-trimethylpentan-2-ol
CID 58403064
3,3-dimethylbutan-2-amine;N-methylmethanamine
CID 143170120

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,6-pentamethylheptan-2-amine?
The IUPAC name of 3,4,5,6,6-pentamethylheptan-2-amine (CID 130427184) is 3,4,5,6,6-pentamethylheptan-2-amine.
What is the SMILES notation for 3,4,5,6,6-pentamethylheptan-2-amine?
The canonical SMILES for 3,4,5,6,6-pentamethylheptan-2-amine is CC(N)C(C)C(C)C(C)C(C)(C)C.
What is the InChIKey of 3,4,5,6,6-pentamethylheptan-2-amine?
The InChIKey is BEXIUSOPZADHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-8(9(2)11(4)13)10(3)12(5,6)7/h8-11H,13H2,1-7H3.
What are the key properties of 3,4,5,6,6-pentamethylheptan-2-amine?
3,4,5,6,6-pentamethylheptan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,6-pentamethylheptan-2-amine is sourced from PubChem (CID 130427184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).