N,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine

C12H23N — CID 175184954

IUPACN,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine
SMILESC=CC(C)(C)C(=C)C(C)(C)N(C)C
InChIInChI=1S/C12H23N/c1-9-11(3,4)10(2)12(5,6)13(7)8/h9H,1-2H2,3-8H3
InChIKeyAGFUPXPFKYKLBC-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.10
Rot. Bonds4

About N,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine

N,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine (PubChem CID 175184954) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine.

Molecular Properties

Compound NameN,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine
PubChem CID175184954
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine
SMILESC=CC(C)(C)C(=C)C(C)(C)N(C)C
InChIInChI=1S/C12H23N/c1-9-11(3,4)10(2)12(5,6)13(7)8/h9H,1-2H2,3-8H3
InChIKeyAGFUPXPFKYKLBC-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.10
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,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine?
The IUPAC name of N,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine (CID 175184954) is N,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine.
What is the SMILES notation for N,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine?
The canonical SMILES for N,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine is C=CC(C)(C)C(=C)C(C)(C)N(C)C.
What is the InChIKey of N,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine?
The InChIKey is AGFUPXPFKYKLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9-11(3,4)10(2)12(5,6)13(7)8/h9H,1-2H2,3-8H3.
What are the key properties of N,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine?
N,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,4,4-pentamethyl-3-methylidenehex-5-en-2-amine is sourced from PubChem (CID 175184954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).