N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine

C14H29N — CID 89076765

IUPACN,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine
SMILESC=C(C(C)C)C(C)C(CC(C)(C)C)NC
InChIInChI=1S/C14H29N/c1-10(2)11(3)12(4)13(15-8)9-14(5,6)7/h10,12-13,15H,3,9H2,1-2,4-8H3
InChIKeyWBFWIYREWDCAME-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.86
Rot. Bonds5

About N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine

N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine (PubChem CID 89076765) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine.

Molecular Properties

Compound NameN,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine
PubChem CID89076765
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine
SMILESC=C(C(C)C)C(C)C(CC(C)(C)C)NC
InChIInChI=1S/C14H29N/c1-10(2)11(3)12(4)13(15-8)9-14(5,6)7/h10,12-13,15H,3,9H2,1-2,4-8H3
InChIKeyWBFWIYREWDCAME-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.86
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,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine?
The IUPAC name of N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine (CID 89076765) is N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine.
What is the SMILES notation for N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine?
The canonical SMILES for N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine is C=C(C(C)C)C(C)C(CC(C)(C)C)NC.
What is the InChIKey of N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine?
The InChIKey is WBFWIYREWDCAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-10(2)11(3)12(4)13(15-8)9-14(5,6)7/h10,12-13,15H,3,9H2,1-2,4-8H3.
What are the key properties of N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine?
N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine has a molecular weight of 211.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine is sourced from PubChem (CID 89076765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).