(2R)-6-methyl-5-methylideneheptan-2-amine

C9H19N — CID 59106213

IUPAC(2R)-6-methyl-5-methylideneheptan-2-amine
SMILESC=C(CC[C@@H](C)N)C(C)C
InChIInChI=1S/C9H19N/c1-7(2)8(3)5-6-9(4)10/h7,9H,3,5-6,10H2,1-2,4H3/t9-/m1/s1
InChIKeyNNJMTOISTYZUDY-SECBINFHSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds4

About (2R)-6-methyl-5-methylideneheptan-2-amine

(2R)-6-methyl-5-methylideneheptan-2-amine (PubChem CID 59106213) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (2R)-6-methyl-5-methylideneheptan-2-amine.

Molecular Properties

Compound Name(2R)-6-methyl-5-methylideneheptan-2-amine
PubChem CID59106213
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(2R)-6-methyl-5-methylideneheptan-2-amine
SMILESC=C(CC[C@@H](C)N)C(C)C
InChIInChI=1S/C9H19N/c1-7(2)8(3)5-6-9(4)10/h7,9H,3,5-6,10H2,1-2,4H3/t9-/m1/s1
InChIKeyNNJMTOISTYZUDY-SECBINFHSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-methyl-5-methylideneheptan-2-amine?
The IUPAC name of (2R)-6-methyl-5-methylideneheptan-2-amine (CID 59106213) is (2R)-6-methyl-5-methylideneheptan-2-amine.
What is the SMILES notation for (2R)-6-methyl-5-methylideneheptan-2-amine?
The canonical SMILES for (2R)-6-methyl-5-methylideneheptan-2-amine is C=C(CC[C@@H](C)N)C(C)C.
What is the InChIKey of (2R)-6-methyl-5-methylideneheptan-2-amine?
The InChIKey is NNJMTOISTYZUDY-SECBINFHSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)8(3)5-6-9(4)10/h7,9H,3,5-6,10H2,1-2,4H3/t9-/m1/s1.
What are the key properties of (2R)-6-methyl-5-methylideneheptan-2-amine?
(2R)-6-methyl-5-methylideneheptan-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methyl-5-methylideneheptan-2-amine is sourced from PubChem (CID 59106213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).