N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine

C16H33N — CID 123979967

IUPACN,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine
SMILESC=C(C(C)C)C(C)(C)C(C)(C)C(CCC)NC
InChIInChI=1S/C16H33N/c1-10-11-14(17-9)16(7,8)15(5,6)13(4)12(2)3/h12,14,17H,4,10-11H2,1-3,5-9H3
InChIKeyQAHHGEORGZFYEO-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.64
Rot. Bonds7

About N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine

N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine (PubChem CID 123979967) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine.

Molecular Properties

Compound NameN,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine
PubChem CID123979967
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine
SMILESC=C(C(C)C)C(C)(C)C(C)(C)C(CCC)NC
InChIInChI=1S/C16H33N/c1-10-11-14(17-9)16(7,8)15(5,6)13(4)12(2)3/h12,14,17H,4,10-11H2,1-3,5-9H3
InChIKeyQAHHGEORGZFYEO-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.64
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 N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine?
The IUPAC name of N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine (CID 123979967) is N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine.
What is the SMILES notation for N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine?
The canonical SMILES for N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine is C=C(C(C)C)C(C)(C)C(C)(C)C(CCC)NC.
What is the InChIKey of N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine?
The InChIKey is QAHHGEORGZFYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-10-11-14(17-9)16(7,8)15(5,6)13(4)12(2)3/h12,14,17H,4,10-11H2,1-3,5-9H3.
What are the key properties of N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine?
N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine has a molecular weight of 239.45 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine is sourced from PubChem (CID 123979967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).