17-methylidenetricosan-9-amine

C24H49N — CID 129036120

IUPAC17-methylidenetricosan-9-amine
SMILESC=C(CCCCCC)CCCCCCCC(N)CCCCCCCC
InChIInChI=1S/C24H49N/c1-4-6-8-10-13-17-21-24(25)22-18-14-11-12-16-20-23(3)19-15-9-7-5-2/h24H,3-22,25H2,1-2H3
InChIKeyPYYNIAKTJVSZRB-UHFFFAOYSA-N
MW351.66 g/mol
LogP8.32
Rot. Bonds20

About 17-methylidenetricosan-9-amine

17-methylidenetricosan-9-amine (PubChem CID 129036120) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is 17-methylidenetricosan-9-amine.

Molecular Properties

Compound Name17-methylidenetricosan-9-amine
PubChem CID129036120
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC Name17-methylidenetricosan-9-amine
SMILESC=C(CCCCCC)CCCCCCCC(N)CCCCCCCC
InChIInChI=1S/C24H49N/c1-4-6-8-10-13-17-21-24(25)22-18-14-11-12-16-20-23(3)19-15-9-7-5-2/h24H,3-22,25H2,1-2H3
InChIKeyPYYNIAKTJVSZRB-UHFFFAOYSA-N
XLogP8.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 58.32
H-Bond Donors ≤ 51
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

13,13-dimethyl-11-methylidenetetradecan-6-amine
CID 167044222
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
4-methylidenetricosane
CID 139983205
4-methylidenenonadecane
CID 139983203
9,10-dimethyl-5-methylidenepentadecane
CID 142544689
2-methyl-5-methylideneundecane
CID 54320712
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510

Frequently Asked Questions

What is the IUPAC name of 17-methylidenetricosan-9-amine?
The IUPAC name of 17-methylidenetricosan-9-amine (CID 129036120) is 17-methylidenetricosan-9-amine.
What is the SMILES notation for 17-methylidenetricosan-9-amine?
The canonical SMILES for 17-methylidenetricosan-9-amine is C=C(CCCCCC)CCCCCCCC(N)CCCCCCCC.
What is the InChIKey of 17-methylidenetricosan-9-amine?
The InChIKey is PYYNIAKTJVSZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N/c1-4-6-8-10-13-17-21-24(25)22-18-14-11-12-16-20-23(3)19-15-9-7-5-2/h24H,3-22,25H2,1-2H3.
What are the key properties of 17-methylidenetricosan-9-amine?
17-methylidenetricosan-9-amine has a molecular weight of 351.66 g/mol, XLogP of 8.32, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methylidenetricosan-9-amine is sourced from PubChem (CID 129036120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).