3,6,9-trimethylidenetridecan-1-amine

C16H29N — CID 167182420

IUPAC3,6,9-trimethylidenetridecan-1-amine
SMILESC=C(CCN)CCC(=C)CCC(=C)CCCC
InChIInChI=1S/C16H29N/c1-5-6-7-14(2)8-9-15(3)10-11-16(4)12-13-17/h2-13,17H2,1H3
InChIKeyICUNTMWNKFBDOX-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.75
Rot. Bonds11

About 3,6,9-trimethylidenetridecan-1-amine

3,6,9-trimethylidenetridecan-1-amine (PubChem CID 167182420) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 3,6,9-trimethylidenetridecan-1-amine.

Molecular Properties

Compound Name3,6,9-trimethylidenetridecan-1-amine
PubChem CID167182420
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name3,6,9-trimethylidenetridecan-1-amine
SMILESC=C(CCN)CCC(=C)CCC(=C)CCCC
InChIInChI=1S/C16H29N/c1-5-6-7-14(2)8-9-15(3)10-11-16(4)12-13-17/h2-13,17H2,1H3
InChIKeyICUNTMWNKFBDOX-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
CID 101454791
CID 101454791
19-methylideneheptatriacontane;titanium
CID 174477367
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
4,7-dimethylidenedecane
CID 543440
2-chlorohex-1-ene
CID 10986202
1,1,1-trifluoro-4-methylideneoctane
CID 146018304
N,N-diethyl-3-methylideneheptan-1-amine
CID 134980588
3,8-dimethylidenetetradecane
CID 173410299
dodecanoic acid;5-methylidenenonane
CID 87640526

Frequently Asked Questions

What is the IUPAC name of 3,6,9-trimethylidenetridecan-1-amine?
The IUPAC name of 3,6,9-trimethylidenetridecan-1-amine (CID 167182420) is 3,6,9-trimethylidenetridecan-1-amine.
What is the SMILES notation for 3,6,9-trimethylidenetridecan-1-amine?
The canonical SMILES for 3,6,9-trimethylidenetridecan-1-amine is C=C(CCN)CCC(=C)CCC(=C)CCCC.
What is the InChIKey of 3,6,9-trimethylidenetridecan-1-amine?
The InChIKey is ICUNTMWNKFBDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-5-6-7-14(2)8-9-15(3)10-11-16(4)12-13-17/h2-13,17H2,1H3.
What are the key properties of 3,6,9-trimethylidenetridecan-1-amine?
3,6,9-trimethylidenetridecan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.75, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9-trimethylidenetridecan-1-amine is sourced from PubChem (CID 167182420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).