1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine

C35H61N — CID 146359719

IUPAC1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine
SMILESC=C(CCCCCCCCC)CCc1cc(CCC(=C)CCCCCCCCC)cc(CN(C)C)c1
InChIInChI=1S/C35H61N/c1-7-9-11-13-15-17-19-21-31(3)23-25-33-27-34(29-35(28-33)30-36(5)6)26-24-32(4)22-20-18-16-14-12-10-8-2/h27-29H,3-4,7-26,30H2,1-2,5-6H3
InChIKeyYOTFCNUFIAXFJG-UHFFFAOYSA-N
MW495.88 g/mol
LogP11.01
Rot. Bonds24

About 1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine

1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine (PubChem CID 146359719) has the molecular formula C35H61N and a molecular weight of 495.88 g/mol. Its IUPAC name is 1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine
PubChem CID146359719
Molecular FormulaC35H61N
Molecular Weight495.88 g/mol
Exact Mass495.48
IUPAC Name1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine
SMILESC=C(CCCCCCCCC)CCc1cc(CCC(=C)CCCCCCCCC)cc(CN(C)C)c1
InChIInChI=1S/C35H61N/c1-7-9-11-13-15-17-19-21-31(3)23-25-33-27-34(29-35(28-33)30-36(5)6)26-24-32(4)22-20-18-16-14-12-10-8-2/h27-29H,3-4,7-26,30H2,1-2,5-6H3
InChIKeyYOTFCNUFIAXFJG-UHFFFAOYSA-N
XLogP11.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.88
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-bis(9-hexyl-3-methylidenepentadecyl)phenyl]-N,N-dimethylmethanamine
CID 146359603
N,N-dimethyl-1-[3-(3-methylidene-5-octyltridecyl)-5-pentadecylphenyl]methanamine
CID 146359720
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
1-[3-[(dimethylamino)methyl]-5-[(Z)-14-methyl-3-methylidenenonadec-11-enyl]phenoxy]-4-octyldodecan-2-one
CID 139438415
1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine
CID 146359749
19-methylideneheptatriacontane;titanium
CID 174477367
N,N-dimethyl-2-methylideneoctadecan-1-amine
CID 174335224
4-methylidenetricosane
CID 139983205
4-methylidenenonadecane
CID 139983203
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
1,2-dimethyl-4-(4-methylidenedodecyl)benzene
CID 123685669

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine (CID 146359719) is 1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine is C=C(CCCCCCCCC)CCc1cc(CCC(=C)CCCCCCCCC)cc(CN(C)C)c1.
What is the InChIKey of 1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is YOTFCNUFIAXFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H61N/c1-7-9-11-13-15-17-19-21-31(3)23-25-33-27-34(29-35(28-33)30-36(5)6)26-24-32(4)22-20-18-16-14-12-10-8-2/h27-29H,3-4,7-26,30H2,1-2,5-6H3.
What are the key properties of 1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine?
1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 495.88 g/mol, XLogP of 11.01, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 146359719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).