(6S)-6-methyl-3-methylideneoctan-2-amine

C10H21N — CID 89038783

IUPAC(6S)-6-methyl-3-methylideneoctan-2-amine
SMILESC=C(CC[C@@H](C)CC)C(C)N
InChIInChI=1S/C10H21N/c1-5-8(2)6-7-9(3)10(4)11/h8,10H,3,5-7,11H2,1-2,4H3/t8-,10?/m0/s1
InChIKeyYFPSFABOVNMOMR-PEHGTWAWSA-N
MW155.28 g/mol
LogP2.72
Rot. Bonds5

About (6S)-6-methyl-3-methylideneoctan-2-amine

(6S)-6-methyl-3-methylideneoctan-2-amine (PubChem CID 89038783) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (6S)-6-methyl-3-methylideneoctan-2-amine.

Molecular Properties

Compound Name(6S)-6-methyl-3-methylideneoctan-2-amine
PubChem CID89038783
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(6S)-6-methyl-3-methylideneoctan-2-amine
SMILESC=C(CC[C@@H](C)CC)C(C)N
InChIInChI=1S/C10H21N/c1-5-8(2)6-7-9(3)10(4)11/h8,10H,3,5-7,11H2,1-2,4H3/t8-,10?/m0/s1
InChIKeyYFPSFABOVNMOMR-PEHGTWAWSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.72
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 (6S)-6-methyl-3-methylideneoctan-2-amine?
The IUPAC name of (6S)-6-methyl-3-methylideneoctan-2-amine (CID 89038783) is (6S)-6-methyl-3-methylideneoctan-2-amine.
What is the SMILES notation for (6S)-6-methyl-3-methylideneoctan-2-amine?
The canonical SMILES for (6S)-6-methyl-3-methylideneoctan-2-amine is C=C(CC[C@@H](C)CC)C(C)N.
What is the InChIKey of (6S)-6-methyl-3-methylideneoctan-2-amine?
The InChIKey is YFPSFABOVNMOMR-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H21N/c1-5-8(2)6-7-9(3)10(4)11/h8,10H,3,5-7,11H2,1-2,4H3/t8-,10?/m0/s1.
What are the key properties of (6S)-6-methyl-3-methylideneoctan-2-amine?
(6S)-6-methyl-3-methylideneoctan-2-amine has a molecular weight of 155.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-3-methylideneoctan-2-amine is sourced from PubChem (CID 89038783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).