2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine

C20H41N — CID 134218388

IUPAC2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine
SMILESC=C(C)C(C)C(N)C(C(C)C)C(C)C(C)CCCC(C)C
InChIInChI=1S/C20H41N/c1-13(2)11-10-12-16(7)18(9)19(15(5)6)20(21)17(8)14(3)4/h13,15-20H,3,10-12,21H2,1-2,4-9H3
InChIKeyMRGYWIHCNFNDIK-UHFFFAOYSA-N
MW295.56 g/mol
LogP5.90
Rot. Bonds10

About 2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine

2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine (PubChem CID 134218388) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine.

Molecular Properties

Compound Name2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine
PubChem CID134218388
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine
SMILESC=C(C)C(C)C(N)C(C(C)C)C(C)C(C)CCCC(C)C
InChIInChI=1S/C20H41N/c1-13(2)11-10-12-16(7)18(9)19(15(5)6)20(21)17(8)14(3)4/h13,15-20H,3,10-12,21H2,1-2,4-9H3
InChIKeyMRGYWIHCNFNDIK-UHFFFAOYSA-N
XLogP5.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 55.90
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 2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine?
The IUPAC name of 2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine (CID 134218388) is 2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine.
What is the SMILES notation for 2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine?
The canonical SMILES for 2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine is C=C(C)C(C)C(N)C(C(C)C)C(C)C(C)CCCC(C)C.
What is the InChIKey of 2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine?
The InChIKey is MRGYWIHCNFNDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-13(2)11-10-12-16(7)18(9)19(15(5)6)20(21)17(8)14(3)4/h13,15-20H,3,10-12,21H2,1-2,4-9H3.
What are the key properties of 2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine?
2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine has a molecular weight of 295.56 g/mol, XLogP of 5.90, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,11-pentamethyl-5-propan-2-yldodec-1-en-4-amine is sourced from PubChem (CID 134218388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).