N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine

C27H51NO — CID 170203178

IUPACN-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine
SMILESC=C(CCC(=C)C(C)C)NCCCCCCCCCCCOCCC(=C)C(C)C
InChIInChI=1S/C27H51NO/c1-23(2)25(5)17-18-27(7)28-20-15-13-11-9-8-10-12-14-16-21-29-22-19-26(6)24(3)4/h23-24,28H,5-22H2,1-4H3
InChIKeyMOEWGTSANMEGIT-UHFFFAOYSA-N
MW405.71 g/mol
LogP8.21
Rot. Bonds21

About N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine

N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine (PubChem CID 170203178) has the molecular formula C27H51NO and a molecular weight of 405.71 g/mol. Its IUPAC name is N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine.

Molecular Properties

Compound NameN-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine
PubChem CID170203178
Molecular FormulaC27H51NO
Molecular Weight405.71 g/mol
Exact Mass405.40
IUPAC NameN-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine
SMILESC=C(CCC(=C)C(C)C)NCCCCCCCCCCCOCCC(=C)C(C)C
InChIInChI=1S/C27H51NO/c1-23(2)25(5)17-18-27(7)28-20-15-13-11-9-8-10-12-14-16-21-29-22-19-26(6)24(3)4/h23-24,28H,5-22H2,1-4H3
InChIKeyMOEWGTSANMEGIT-UHFFFAOYSA-N
XLogP8.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.71
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine?
The IUPAC name of N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine (CID 170203178) is N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine.
What is the SMILES notation for N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine?
The canonical SMILES for N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine is C=C(CCC(=C)C(C)C)NCCCCCCCCCCCOCCC(=C)C(C)C.
What is the InChIKey of N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine?
The InChIKey is MOEWGTSANMEGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51NO/c1-23(2)25(5)17-18-27(7)28-20-15-13-11-9-8-10-12-14-16-21-29-22-19-26(6)24(3)4/h23-24,28H,5-22H2,1-4H3.
What are the key properties of N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine?
N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine has a molecular weight of 405.71 g/mol, XLogP of 8.21, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-5-methylidenehept-1-en-2-yl)-11-(4-methyl-3-methylidenepentoxy)undecan-1-amine is sourced from PubChem (CID 170203178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).