N,N-dimethyl-2-methylideneoctadecan-1-amine

C21H43N — CID 174335224

IUPACN,N-dimethyl-2-methylideneoctadecan-1-amine
SMILESC=C(CCCCCCCCCCCCCCCC)CN(C)C
InChIInChI=1S/C21H43N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22(3)4/h2,5-20H2,1,3-4H3
InChIKeyLSQXVJWDXXCYOY-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.98
Rot. Bonds17

About N,N-dimethyl-2-methylideneoctadecan-1-amine

N,N-dimethyl-2-methylideneoctadecan-1-amine (PubChem CID 174335224) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is N,N-dimethyl-2-methylideneoctadecan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylideneoctadecan-1-amine
PubChem CID174335224
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC NameN,N-dimethyl-2-methylideneoctadecan-1-amine
SMILESC=C(CCCCCCCCCCCCCCCC)CN(C)C
InChIInChI=1S/C21H43N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22(3)4/h2,5-20H2,1,3-4H3
InChIKeyLSQXVJWDXXCYOY-UHFFFAOYSA-N
XLogP6.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.98
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

6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
3-methylidenedecane
CID 21453024
3,8-dimethylidenetetradecane
CID 173410299
2-methylidenepentadecan-1-ol
CID 10847661
2-methyltetradec-1-ene
CID 521375
ethane;2-methyloct-1-ene
CID 143077596
N,N-dimethyl-10-methylidene-2-(8-methylidene-12-pentylheptadecyl)-14-pentylnonadecan-1-amine
CID 170071949

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylideneoctadecan-1-amine?
The IUPAC name of N,N-dimethyl-2-methylideneoctadecan-1-amine (CID 174335224) is N,N-dimethyl-2-methylideneoctadecan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-methylideneoctadecan-1-amine?
The canonical SMILES for N,N-dimethyl-2-methylideneoctadecan-1-amine is C=C(CCCCCCCCCCCCCCCC)CN(C)C.
What is the InChIKey of N,N-dimethyl-2-methylideneoctadecan-1-amine?
The InChIKey is LSQXVJWDXXCYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22(3)4/h2,5-20H2,1,3-4H3.
What are the key properties of N,N-dimethyl-2-methylideneoctadecan-1-amine?
N,N-dimethyl-2-methylideneoctadecan-1-amine has a molecular weight of 309.58 g/mol, XLogP of 6.98, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylideneoctadecan-1-amine is sourced from PubChem (CID 174335224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).