N,N,2,5-tetramethyl-4-methylidenehexan-1-amine

C11H23N — CID 91500285

IUPACN,N,2,5-tetramethyl-4-methylidenehexan-1-amine
SMILESC=C(CC(C)CN(C)C)C(C)C
InChIInChI=1S/C11H23N/c1-9(2)11(4)7-10(3)8-12(5)6/h9-10H,4,7-8H2,1-3,5-6H3
InChIKeyUAOHCAUOIPBNAI-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.79
Rot. Bonds5

About N,N,2,5-tetramethyl-4-methylidenehexan-1-amine

N,N,2,5-tetramethyl-4-methylidenehexan-1-amine (PubChem CID 91500285) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N,N,2,5-tetramethyl-4-methylidenehexan-1-amine.

Molecular Properties

Compound NameN,N,2,5-tetramethyl-4-methylidenehexan-1-amine
PubChem CID91500285
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN,N,2,5-tetramethyl-4-methylidenehexan-1-amine
SMILESC=C(CC(C)CN(C)C)C(C)C
InChIInChI=1S/C11H23N/c1-9(2)11(4)7-10(3)8-12(5)6/h9-10H,4,7-8H2,1-3,5-6H3
InChIKeyUAOHCAUOIPBNAI-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
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,N,2,5-tetramethyl-4-methylidenehexan-1-amine?
The IUPAC name of N,N,2,5-tetramethyl-4-methylidenehexan-1-amine (CID 91500285) is N,N,2,5-tetramethyl-4-methylidenehexan-1-amine.
What is the SMILES notation for N,N,2,5-tetramethyl-4-methylidenehexan-1-amine?
The canonical SMILES for N,N,2,5-tetramethyl-4-methylidenehexan-1-amine is C=C(CC(C)CN(C)C)C(C)C.
What is the InChIKey of N,N,2,5-tetramethyl-4-methylidenehexan-1-amine?
The InChIKey is UAOHCAUOIPBNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)11(4)7-10(3)8-12(5)6/h9-10H,4,7-8H2,1-3,5-6H3.
What are the key properties of N,N,2,5-tetramethyl-4-methylidenehexan-1-amine?
N,N,2,5-tetramethyl-4-methylidenehexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,5-tetramethyl-4-methylidenehexan-1-amine is sourced from PubChem (CID 91500285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).