6-methylheptan-2-amine

C8H19N — CID 10982

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IUPAC6-methylheptan-2-amine
SMILESCC(C)CCCC(C)N
InChIInChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3
InChIKeyQNIVIMYXGGFTAK-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.16
Rot. Bonds4

About 6-methylheptan-2-amine

6-methylheptan-2-amine (PubChem CID 10982) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 6-methylheptan-2-amine.

Molecular Properties

Compound Name6-methylheptan-2-amine
PubChem CID10982
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name6-methylheptan-2-amine
SMILESCC(C)CCCC(C)N
InChIInChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3
InChIKeyQNIVIMYXGGFTAK-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Dimethylamylamine
CID 7753
2-Ethylhexylamine
CID 7719
Octamylamine
CID 10406
5-Methyl-2-hexylamine
CID 34204
Iproheptine
CID 19917
1-Cyclohexylethylamine
CID 110733
1-Cyclohexylpropan-2-amine
CID 115665
(S)-(+)-1-Cyclohexylethylamine
CID 5325951
(-)-1-Cyclohexylethylamine
CID 10997046
1,6-Hexanediamine, C,C,C-trimethyl-
CID 3033875
Tridecylamine, branched and linear
CID 22833454
2,6-Dimethyl-4-heptanamine
CID 103410

Frequently Asked Questions

What is the IUPAC name of 6-methylheptan-2-amine?
The IUPAC name of 6-methylheptan-2-amine (CID 10982) is 6-methylheptan-2-amine.
What is the SMILES notation for 6-methylheptan-2-amine?
The canonical SMILES for 6-methylheptan-2-amine is CC(C)CCCC(C)N.
What is the InChIKey of 6-methylheptan-2-amine?
The InChIKey is QNIVIMYXGGFTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 6-methylheptan-2-amine?
6-methylheptan-2-amine has a molecular weight of 129.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptan-2-amine is sourced from PubChem (CID 10982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).