N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine

C25H51N — CID 129293558

IUPACN-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine
SMILESC=C(CC)CCCCCCCN(CCCCCCCCC)CC(C)(C)C
InChIInChI=1S/C25H51N/c1-7-9-10-11-12-15-18-21-26(23-25(4,5)6)22-19-16-13-14-17-20-24(3)8-2/h3,7-23H2,1-2,4-6H3
InChIKeyZMSUUEFAQNQLQI-UHFFFAOYSA-N
MW365.69 g/mol
LogP8.39
Rot. Bonds18

About N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine

N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine (PubChem CID 129293558) has the molecular formula C25H51N and a molecular weight of 365.69 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine
PubChem CID129293558
Molecular FormulaC25H51N
Molecular Weight365.69 g/mol
Exact Mass365.40
IUPAC NameN-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine
SMILESC=C(CC)CCCCCCCN(CCCCCCCCC)CC(C)(C)C
InChIInChI=1S/C25H51N/c1-7-9-10-11-12-15-18-21-26(23-25(4,5)6)22-19-16-13-14-17-20-24(3)8-2/h3,7-23H2,1-2,4-6H3
InChIKeyZMSUUEFAQNQLQI-UHFFFAOYSA-N
XLogP8.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 58.39
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

N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine
CID 6426420
3-methylidenedecane
CID 21453024
3,8-dimethylidenetetradecane
CID 173410299
6-methylidene-N,N-dioctyloct-1-en-2-amine
CID 155278283
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
6-methylidenedodecane
CID 21453027
3,8,15,20-tetramethylidenedocosane
CID 176610318
6-methylidenetetradecane
CID 21477883
9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene
CID 173451985
19-methylideneheptatriacontane;titanium
CID 174477367
N-(6-methylhept-6-enyl)-N-propyloctan-1-amine
CID 167036910
4-methylidenenonadecane
CID 139983203

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine (CID 129293558) is N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine is C=C(CC)CCCCCCCN(CCCCCCCCC)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine?
The InChIKey is ZMSUUEFAQNQLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N/c1-7-9-10-11-12-15-18-21-26(23-25(4,5)6)22-19-16-13-14-17-20-24(3)8-2/h3,7-23H2,1-2,4-6H3.
What are the key properties of N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine?
N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine has a molecular weight of 365.69 g/mol, XLogP of 8.39, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine is sourced from PubChem (CID 129293558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).