N,N,7,7-tetramethyl-6-methylideneoctan-1-amine

C13H27N — CID 126554487

IUPACN,N,7,7-tetramethyl-6-methylideneoctan-1-amine
SMILESC=C(CCCCCN(C)C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-12(13(2,3)4)10-8-7-9-11-14(5)6/h1,7-11H2,2-6H3
InChIKeyIQKITLFYCJRURH-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.71
Rot. Bonds6

About N,N,7,7-tetramethyl-6-methylideneoctan-1-amine

N,N,7,7-tetramethyl-6-methylideneoctan-1-amine (PubChem CID 126554487) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,N,7,7-tetramethyl-6-methylideneoctan-1-amine.

Molecular Properties

Compound NameN,N,7,7-tetramethyl-6-methylideneoctan-1-amine
PubChem CID126554487
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,N,7,7-tetramethyl-6-methylideneoctan-1-amine
SMILESC=C(CCCCCN(C)C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-12(13(2,3)4)10-8-7-9-11-14(5)6/h1,7-11H2,2-6H3
InChIKeyIQKITLFYCJRURH-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,7,7-tetramethyl-6-methylideneoctan-1-amine?
The IUPAC name of N,N,7,7-tetramethyl-6-methylideneoctan-1-amine (CID 126554487) is N,N,7,7-tetramethyl-6-methylideneoctan-1-amine.
What is the SMILES notation for N,N,7,7-tetramethyl-6-methylideneoctan-1-amine?
The canonical SMILES for N,N,7,7-tetramethyl-6-methylideneoctan-1-amine is C=C(CCCCCN(C)C)C(C)(C)C.
What is the InChIKey of N,N,7,7-tetramethyl-6-methylideneoctan-1-amine?
The InChIKey is IQKITLFYCJRURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(13(2,3)4)10-8-7-9-11-14(5)6/h1,7-11H2,2-6H3.
What are the key properties of N,N,7,7-tetramethyl-6-methylideneoctan-1-amine?
N,N,7,7-tetramethyl-6-methylideneoctan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7,7-tetramethyl-6-methylideneoctan-1-amine is sourced from PubChem (CID 126554487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).