(3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine

C14H29NS — CID 88882494

IUPAC(3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine
SMILESC=C(CC(C)(C)CC(C)C)[C@@H](N)CCSC
InChIInChI=1S/C14H29NS/c1-11(2)9-14(4,5)10-12(3)13(15)7-8-16-6/h11,13H,3,7-10,15H2,1-2,4-6H3/t13-/m0/s1
InChIKeyLIYBULNRVVTLAL-ZDUSSCGKSA-N
MW243.46 g/mol
LogP4.09
Rot. Bonds8

About (3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine

(3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine (PubChem CID 88882494) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is (3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine.

Molecular Properties

Compound Name(3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine
PubChem CID88882494
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name(3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine
SMILESC=C(CC(C)(C)CC(C)C)[C@@H](N)CCSC
InChIInChI=1S/C14H29NS/c1-11(2)9-14(4,5)10-12(3)13(15)7-8-16-6/h11,13H,3,7-10,15H2,1-2,4-6H3/t13-/m0/s1
InChIKeyLIYBULNRVVTLAL-ZDUSSCGKSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine?
The IUPAC name of (3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine (CID 88882494) is (3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine.
What is the SMILES notation for (3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine?
The canonical SMILES for (3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine is C=C(CC(C)(C)CC(C)C)[C@@H](N)CCSC.
What is the InChIKey of (3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine?
The InChIKey is LIYBULNRVVTLAL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H29NS/c1-11(2)9-14(4,5)10-12(3)13(15)7-8-16-6/h11,13H,3,7-10,15H2,1-2,4-6H3/t13-/m0/s1.
What are the key properties of (3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine?
(3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine has a molecular weight of 243.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6,6,8-trimethyl-4-methylidene-1-methylsulfanylnonan-3-amine is sourced from PubChem (CID 88882494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).